4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

C92H100N32O5 — CID 159438440

IUPAC4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCN1CCN(Cc2nn(CC(=O)N3CCc4n[nH]nc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1=O.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(CN2CC=C(c3ccccc3)CC2)n1)N1CCc2n[nH]nc2C1.O=C1CNCCN1Cc1nn(CC(=O)N2CCc3n[nH]nc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C35H36N10O.C29H33N11O2.C28H31N11O2/c46-34(44-15-12-31-33(22-44)40-42-39-31)23-45-20-30(32(41-45)21-43-13-10-25(11-14-43)24-6-2-1-3-7-24)28-18-36-35(37-19-28)38-29-16-26-8-4-5-9-27(26)17-29;1-37-8-9-38(17-27(37)41)15-25-23(14-40(35-25)18-28(42)39-7-6-24-26(16-39)34-36-33-24)21-12-30-29(31-13-21)32-22-10-19-4-2-3-5-20(19)11-22;40-26-13-29-6-8-38(26)15-24-22(14-39(35-24)17-27(41)37-7-5-23-25(16-37)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-10,18-20,29H,11-17,21-23H2,(H,36,37,38)(H,39,40,42);2-5,12-14,22H,6-11,15-18H2,1H3,(H,30,31,32)(H,33,34,36);1-4,11-12,14,21,29H,5-10,13,15-17H2,(H,30,31,32)(H,33,34,36)
InChIKeyLRWGSHBYZBTYCN-UHFFFAOYSA-N
MW1734.03 g/mol
LogP5.36
Rot. Bonds22

About 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone

4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 159438440) has the molecular formula C92H100N32O5 and a molecular weight of 1734.03 g/mol. Its IUPAC name is 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
PubChem CID159438440
Molecular FormulaC92H100N32O5
Molecular Weight1734.03 g/mol
Exact Mass1732.86
IUPAC Name4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
SMILESCN1CCN(Cc2nn(CC(=O)N3CCc4n[nH]nc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1=O.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(CN2CC=C(c3ccccc3)CC2)n1)N1CCc2n[nH]nc2C1.O=C1CNCCN1Cc1nn(CC(=O)N2CCc3n[nH]nc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1
InChIInChI=1S/C35H36N10O.C29H33N11O2.C28H31N11O2/c46-34(44-15-12-31-33(22-44)40-42-39-31)23-45-20-30(32(41-45)21-43-13-10-25(11-14-43)24-6-2-1-3-7-24)28-18-36-35(37-19-28)38-29-16-26-8-4-5-9-27(26)17-29;1-37-8-9-38(17-27(37)41)15-25-23(14-40(35-25)18-28(42)39-7-6-24-26(16-39)34-36-33-24)21-12-30-29(31-13-21)32-22-10-19-4-2-3-5-20(19)11-22;40-26-13-29-6-8-38(26)15-24-22(14-39(35-24)17-27(41)37-7-5-23-25(16-37)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-10,18-20,29H,11-17,21-23H2,(H,36,37,38)(H,39,40,42);2-5,12-14,22H,6-11,15-18H2,1H3,(H,30,31,32)(H,33,34,36);1-4,11-12,14,21,29H,5-10,13,15-17H2,(H,30,31,32)(H,33,34,36)
InChIKeyLRWGSHBYZBTYCN-UHFFFAOYSA-N
XLogP5.36
TPSA411.66 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001734.03
LogP ≤ 55.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Analyze 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

Example 12-13
CID 141724150
Example 12-6
CID 142474224
Example 12-14
CID 135382011
Example 12-1
CID 135382568
Example 12-9
CID 135382586
Example 11-2
CID 141724120
Example 12-11
CID 141724153
Example 10-14
CID 141724156
Example 8-1
CID 141724159
Example 10-16
CID 141724192
Example 12-12
CID 141724198
Example 11-1
CID 141724202

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone (CID 159438440) is 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is CN1CCN(Cc2nn(CC(=O)N3CCc4n[nH]nc4C3)cc2-c2cnc(NC3Cc4ccccc4C3)nc2)CC1=O.O=C(Cn1cc(-c2cnc(NC3Cc4ccccc4C3)nc2)c(CN2CC=C(c3ccccc3)CC2)n1)N1CCc2n[nH]nc2C1.O=C1CNCCN1Cc1nn(CC(=O)N2CCc3n[nH]nc3C2)cc1-c1cnc(NC2Cc3ccccc3C2)nc1.
What is the InChIKey of 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is LRWGSHBYZBTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N10O.C29H33N11O2.C28H31N11O2/c46-34(44-15-12-31-33(22-44)40-42-39-31)23-45-20-30(32(41-45)21-43-13-10-25(11-14-43)24-6-2-1-3-7-24)28-18-36-35(37-19-28)38-29-16-26-8-4-5-9-27(26)17-29;1-37-8-9-38(17-27(37)41)15-25-23(14-40(35-25)18-28(42)39-7-6-24-26(16-39)34-36-33-24)21-12-30-29(31-13-21)32-22-10-19-4-2-3-5-20(19)11-22;40-26-13-29-6-8-38(26)15-24-22(14-39(35-24)17-27(41)37-7-5-23-25(16-37)34-36-33-23)20-11-30-28(31-12-20)32-21-9-18-3-1-2-4-19(18)10-21/h1-10,18-20,29H,11-17,21-23H2,(H,36,37,38)(H,39,40,42);2-5,12-14,22H,6-11,15-18H2,1H3,(H,30,31,32)(H,33,34,36);1-4,11-12,14,21,29H,5-10,13,15-17H2,(H,30,31,32)(H,33,34,36).
What are the key properties of 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone?
4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 1734.03 g/mol, XLogP of 5.36, 22 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]-1-methylpiperazin-2-one;1-[[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]methyl]piperazin-2-one;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]pyrazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 159438440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).