benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine

C98H99N27O4 — CID 161638933

IUPACbenzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC1=CC=CC=C1C2=NC(=CC(=N2)N3CCNCC3)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)NC5=NNC6=CC=CC=C65.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCOCC3)NC4=NNC5=CC=CC=C54
InChIInChI=1S/C30H29N7O2.C24H25N7O.C22H23N7.C22H22N6O/c1-21-9-5-6-12-23(21)28-31-26(32-29-24-13-7-8-14-25(24)34-35-29)19-27(33-28)36-15-17-37(18-16-36)30(38)39-20-22-10-3-2-4-11-22;1-16-7-3-4-8-18(16)23-25-21(26-24-19-9-5-6-10-20(19)28-29-24)15-22(27-23)31-13-11-30(12-14-31)17(2)32;1-15-6-2-3-7-16(15)21-24-19(14-20(26-21)29-12-10-23-11-13-29)25-22-17-8-4-5-9-18(17)27-28-22;1-15-6-2-3-7-16(15)21-23-19(14-20(25-21)28-10-12-29-13-11-28)24-22-17-8-4-5-9-18(17)26-27-22/h2-14,19H,15-18,20H2,1H3,(H2,31,32,33,34,35);3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28,29);2-9,14,23H,10-13H2,1H3,(H2,24,25,26,27,28);2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyWYEPNWJRXYGDMB-UHFFFAOYSA-N
MW1719.00 g/mol
LogP—
Rot. Bonds19

About benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine

benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine (PubChem CID 161638933) has the molecular formula C98H99N27O4 and a molecular weight of 1719.00 g/mol. Its IUPAC name is benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Namebenzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine
PubChem CID161638933
Molecular FormulaC98H99N27O4
Molecular Weight1719.00 g/mol
Exact Mass1718.84
IUPAC Namebenzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine
SMILESCC1=CC=CC=C1C2=NC(=CC(=N2)N3CCNCC3)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)NC5=NNC6=CC=CC=C65.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCOCC3)NC4=NNC5=CC=CC=C54
InChIInChI=1S/C30H29N7O2.C24H25N7O.C22H23N7.C22H22N6O/c1-21-9-5-6-12-23(21)28-31-26(32-29-24-13-7-8-14-25(24)34-35-29)19-27(33-28)36-15-17-37(18-16-36)30(38)39-20-22-10-3-2-4-11-22;1-16-7-3-4-8-18(16)23-25-21(26-24-19-9-5-6-10-20(19)28-29-24)15-22(27-23)31-13-11-30(12-14-31)17(2)32;1-15-6-2-3-7-16(15)21-24-19(14-20(26-21)29-12-10-23-11-13-29)25-22-17-8-4-5-9-18(17)27-28-22;1-15-6-2-3-7-16(15)21-23-19(14-20(25-21)28-10-12-29-13-11-28)24-22-17-8-4-5-9-18(17)26-27-22/h2-14,19H,15-18,20H2,1H3,(H2,31,32,33,34,35);3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28,29);2-9,14,23H,10-13H2,1H3,(H2,24,25,26,27,28);2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27)
InChIKeyWYEPNWJRXYGDMB-UHFFFAOYSA-N
XLogP—
TPSA350.00 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms129
Complexity2480

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001719.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The IUPAC name of benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine (CID 161638933) is benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine.
What is the SMILES notation for benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The canonical SMILES for benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine is CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCNCC3)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)C)NC4=NNC5=CC=CC=C54.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCN(CC3)C(=O)OCC4=CC=CC=C4)NC5=NNC6=CC=CC=C65.CC1=CC=CC=C1C2=NC(=CC(=N2)N3CCOCC3)NC4=NNC5=CC=CC=C54.
What is the InChIKey of benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine?
The InChIKey is WYEPNWJRXYGDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2.C24H25N7O.C22H23N7.C22H22N6O/c1-21-9-5-6-12-23(21)28-31-26(32-29-24-13-7-8-14-25(24)34-35-29)19-27(33-28)36-15-17-37(18-16-36)30(38)39-20-22-10-3-2-4-11-22;1-16-7-3-4-8-18(16)23-25-21(26-24-19-9-5-6-10-20(19)28-29-24)15-22(27-23)31-13-11-30(12-14-31)17(2)32;1-15-6-2-3-7-16(15)21-24-19(14-20(26-21)29-12-10-23-11-13-29)25-22-17-8-4-5-9-18(17)27-28-22;1-15-6-2-3-7-16(15)21-23-19(14-20(25-21)28-10-12-29-13-11-28)24-22-17-8-4-5-9-18(17)26-27-22/h2-14,19H,15-18,20H2,1H3,(H2,31,32,33,34,35);3-10,15H,11-14H2,1-2H3,(H2,25,26,27,28,29);2-9,14,23H,10-13H2,1H3,(H2,24,25,26,27,28);2-9,14H,10-13H2,1H3,(H2,23,24,25,26,27).
What are the key properties of benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine?
benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine has a molecular weight of 1719.00 g/mol, XLogP of not available, 19 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxylate;1-[4-[6-(1H-indazol-3-ylamino)-2-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone;N-[2-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-3-amine;N-[2-(2-methylphenyl)-6-piperazin-1-ylpyrimidin-4-yl]-1H-indazol-3-amine is sourced from PubChem (CID 161638933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).