2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

C159H160N54O6 — CID 157355600

IUPAC2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.Cn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1cn(-c2ccccc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cc1cn(C2CC2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1-c1ccccc1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1C1CC1)N1CCc2n[nH]nc2C1
InChIInChI=1S/2C29H27N9O.2C26H27N9O.C25H27N9O.C24H25N9O/c39-27(37-11-10-25-26(18-37)35-36-34-25)14-23-17-38(24-8-2-1-3-9-24)28(32-23)21-15-30-29(31-16-21)33-22-12-19-6-4-5-7-20(19)13-22;39-27(37-11-10-24-26(17-37)35-36-34-24)18-38-16-25(33-28(38)19-6-2-1-3-7-19)22-14-30-29(31-15-22)32-23-12-20-8-4-5-9-21(20)13-23;36-24(34-8-7-21-23(14-34)32-33-31-21)15-35-13-22(30-25(35)16-5-6-16)19-11-27-26(28-12-19)29-20-9-17-3-1-2-4-18(17)10-20;36-24(34-8-7-22-23(15-34)32-33-31-22)11-20-14-35(21-5-6-21)25(29-20)18-12-27-26(28-13-18)30-19-9-16-3-1-2-4-17(16)10-19;1-2-33-14-20(11-23(35)34-8-7-21-22(15-34)31-32-30-21)28-24(33)18-12-26-25(27-13-18)29-19-9-16-5-3-4-6-17(16)10-19;1-32-13-19(10-22(34)33-7-6-20-21(14-33)30-31-29-20)27-23(32)17-11-25-24(26-12-17)28-18-8-15-4-2-3-5-16(15)9-18/h1-9,15-17,22H,10-14,18H2,(H,30,31,33)(H,34,35,36);1-9,14-16,23H,10-13,17-18H2,(H,30,31,32)(H,34,35,36);1-4,11-13,16,20H,5-10,14-15H2,(H,27,28,29)(H,31,32,33);1-4,12-14,19,21H,5-11,15H2,(H,27,28,30)(H,31,32,33);3-6,12-14,19H,2,7-11,15H2,1H3,(H,26,27,29)(H,30,31,32);2-5,11-13,18H,6-10,14H2,1H3,(H,25,26,28)(H,29,30,31)
InChIKeyBIAUCPHVCYQBFZ-UHFFFAOYSA-N
MW2923.40 g/mol
LogP15.33
Rot. Bonds35

About 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 157355600) has the molecular formula C159H160N54O6 and a molecular weight of 2923.40 g/mol. Its IUPAC name is 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID157355600
Molecular FormulaC159H160N54O6
Molecular Weight2923.40 g/mol
Exact Mass2921.39
IUPAC Name2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.Cn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1cn(-c2ccccc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cc1cn(C2CC2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1-c1ccccc1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1C1CC1)N1CCc2n[nH]nc2C1
InChIInChI=1S/2C29H27N9O.2C26H27N9O.C25H27N9O.C24H25N9O/c39-27(37-11-10-25-26(18-37)35-36-34-25)14-23-17-38(24-8-2-1-3-9-24)28(32-23)21-15-30-29(31-16-21)33-22-12-19-6-4-5-7-20(19)13-22;39-27(37-11-10-24-26(17-37)35-36-34-24)18-38-16-25(33-28(38)19-6-2-1-3-7-19)22-14-30-29(31-15-22)32-23-12-20-8-4-5-9-21(20)13-23;36-24(34-8-7-21-23(14-34)32-33-31-21)15-35-13-22(30-25(35)16-5-6-16)19-11-27-26(28-12-19)29-20-9-17-3-1-2-4-18(17)10-20;36-24(34-8-7-22-23(15-34)32-33-31-22)11-20-14-35(21-5-6-21)25(29-20)18-12-27-26(28-13-18)30-19-9-16-3-1-2-4-17(16)10-19;1-2-33-14-20(11-23(35)34-8-7-21-22(15-34)31-32-30-21)28-24(33)18-12-26-25(27-13-18)29-19-9-16-5-3-4-6-17(16)10-19;1-32-13-19(10-22(34)33-7-6-20-21(14-33)30-31-29-20)27-23(32)17-11-25-24(26-12-17)28-18-8-15-4-2-3-5-16(15)9-18/h1-9,15-17,22H,10-14,18H2,(H,30,31,33)(H,34,35,36);1-9,14-16,23H,10-13,17-18H2,(H,30,31,32)(H,34,35,36);1-4,11-13,16,20H,5-10,14-15H2,(H,27,28,29)(H,31,32,33);1-4,12-14,19,21H,5-11,15H2,(H,27,28,30)(H,31,32,33);3-6,12-14,19H,2,7-11,15H2,1H3,(H,26,27,29)(H,30,31,32);2-5,11-13,18H,6-10,14H2,1H3,(H,25,26,28)(H,29,30,31)
InChIKeyBIAUCPHVCYQBFZ-UHFFFAOYSA-N
XLogP15.33
TPSA705.06 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.40
LogP ≤ 515.33
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (CID 157355600) is 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is CCn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.Cn1cc(CC(=O)N2CCc3n[nH]nc3C2)nc1-c1cnc(NC2Cc3ccccc3C2)nc1.O=C(Cc1cn(-c2ccccc2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cc1cn(C2CC2)c(-c2cnc(NC3Cc4ccccc4C3)nc2)n1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1-c1ccccc1)N1CCc2n[nH]nc2C1.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)nc1C1CC1)N1CCc2n[nH]nc2C1.
What is the InChIKey of 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is BIAUCPHVCYQBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27N9O.2C26H27N9O.C25H27N9O.C24H25N9O/c39-27(37-11-10-25-26(18-37)35-36-34-25)14-23-17-38(24-8-2-1-3-9-24)28(32-23)21-15-30-29(31-16-21)33-22-12-19-6-4-5-7-20(19)13-22;39-27(37-11-10-24-26(17-37)35-36-34-24)18-38-16-25(33-28(38)19-6-2-1-3-7-19)22-14-30-29(31-15-22)32-23-12-20-8-4-5-9-21(20)13-23;36-24(34-8-7-21-23(14-34)32-33-31-21)15-35-13-22(30-25(35)16-5-6-16)19-11-27-26(28-12-19)29-20-9-17-3-1-2-4-18(17)10-20;36-24(34-8-7-22-23(15-34)32-33-31-22)11-20-14-35(21-5-6-21)25(29-20)18-12-27-26(28-13-18)30-19-9-16-3-1-2-4-17(16)10-19;1-2-33-14-20(11-23(35)34-8-7-21-22(15-34)31-32-30-21)28-24(33)18-12-26-25(27-13-18)29-19-9-16-5-3-4-6-17(16)10-19;1-32-13-19(10-22(34)33-7-6-20-21(14-33)30-31-29-20)27-23(32)17-11-25-24(26-12-17)28-18-8-15-4-2-3-5-16(15)9-18/h1-9,15-17,22H,10-14,18H2,(H,30,31,33)(H,34,35,36);1-9,14-16,23H,10-13,17-18H2,(H,30,31,32)(H,34,35,36);1-4,11-13,16,20H,5-10,14-15H2,(H,27,28,29)(H,31,32,33);1-4,12-14,19,21H,5-11,15H2,(H,27,28,30)(H,31,32,33);3-6,12-14,19H,2,7-11,15H2,1H3,(H,26,27,29)(H,30,31,32);2-5,11-13,18H,6-10,14H2,1H3,(H,25,26,28)(H,29,30,31).
What are the key properties of 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 2923.40 g/mol, XLogP of 15.33, 35 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropyl-2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]imidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-ethylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-methylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[2-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-phenylimidazol-4-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-phenylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 157355600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).