(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide

C37H32Cl2N6O — CID 71155644

IUPAC(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
SMILESNC1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2-c2c(-c3ccccc3)ncn2[C@@H]4c2ccc(Cl)cc2)C1
InChIInChI=1S/C37H32Cl2N6O/c38-25-14-12-23(13-15-25)35-28-17-26(39)18-30-31(28)32(36-33(41-21-45(35)36)22-7-2-1-3-8-22)34(42-30)37(46)43-29-11-5-4-9-24(29)19-44-16-6-10-27(40)20-44/h1-5,7-9,11-15,17-18,21,27,35,42H,6,10,16,19-20,40H2,(H,43,46)/t27?,35-/m1/s1
InChIKeyYNRCBADLRINERA-OMJPZEPFSA-N
MW647.61 g/mol
LogP8.13
Rot. Bonds6

About (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide

(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide (PubChem CID 71155644) has the molecular formula C37H32Cl2N6O and a molecular weight of 647.61 g/mol. Its IUPAC name is (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide.

Molecular Properties

Compound Name(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
PubChem CID71155644
Molecular FormulaC37H32Cl2N6O
Molecular Weight647.61 g/mol
Exact Mass646.20
IUPAC Name(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
SMILESNC1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2-c2c(-c3ccccc3)ncn2[C@@H]4c2ccc(Cl)cc2)C1
InChIInChI=1S/C37H32Cl2N6O/c38-25-14-12-23(13-15-25)35-28-17-26(39)18-30-31(28)32(36-33(41-21-45(35)36)22-7-2-1-3-8-22)34(42-30)37(46)43-29-11-5-4-9-24(29)19-44-16-6-10-27(40)20-44/h1-5,7-9,11-15,17-18,21,27,35,42H,6,10,16,19-20,40H2,(H,43,46)/t27?,35-/m1/s1
InChIKeyYNRCBADLRINERA-OMJPZEPFSA-N
XLogP8.13
TPSA91.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.61
LogP ≤ 58.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide with MolForge

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Related Compounds

10-chloro-7-(4-chlorophenyl)-N-[2-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
CID 71155513
10-chloro-7-(4-chlorophenyl)-N-(1-methyl-4-phenylpyrazol-3-yl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
CID 71155746
10-chloro-7-(4-chlorophenyl)-N-[5-cyano-2-(4-cyclohexylpiperazin-1-yl)phenyl]-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
CID 71155604
N-[2-[[(3R)-3-acetamidopiperidin-1-yl]methyl]phenyl]-6-chloro-3-[3-[(1S)-1-(4-chlorophenyl)ethyl]-5-phenylimidazol-4-yl]-1H-indole-2-carboxamide
CID 71477306
(7R)-10-chloro-7-(4-chlorophenyl)-N-[5-methyl-2-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-pyridinyl]-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide
CID 71155704
methyl 3-[[10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carbonyl]amino]-4-[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]benzoate
CID 71155490
methyl 3-[[(7S)-10-chloro-7-(2,4-dichlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carbonyl]amino]-4-[4-(2-oxo-1,3-oxazinan-3-yl)piperidin-1-yl]benzoate
CID 71155671
12-chloro-9-(4-chlorophenyl)-4-methyl-N-[2-[4-(methylamino)piperidin-1-yl]-3-pyridinyl]-3-phenyl-8,15-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-1(16),2,6,10(17),11,13-hexaene-16-carboxamide
CID 123613751
N-[2-[(1-acetylpyrrolidin-2-yl)methoxy]-3-pyridinyl]-12-chloro-9-(4-chlorophenyl)-4-methyl-3-phenyl-8,15-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-1(16),2,6,10(17),11,13-hexaene-16-carboxamide
CID 123291945
methyl 3-[amino-[(7S)-10-chloro-7-(2,4-dichlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carbonyl]amino]-4-[4-(pyrrolidine-1-carbonylamino)piperidin-1-yl]benzoate
CID 71155437
12-chloro-9-(4-chlorophenyl)-4-methyl-3-phenyl-N-[2-[4-(pyridine-2-carbonylamino)piperidin-1-yl]-3-pyridinyl]-8,15-diazatetracyclo[8.6.1.02,8.014,17]heptadeca-1(16),2,6,10(17),11,13-hexaene-16-carboxamide
CID 123943415
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 25097197

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide?
The IUPAC name of (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide (CID 71155644) is (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide.
What is the SMILES notation for (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide?
The canonical SMILES for (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide is NC1CCCN(Cc2ccccc2NC(=O)c2[nH]c3cc(Cl)cc4c3c2-c2c(-c3ccccc3)ncn2[C@@H]4c2ccc(Cl)cc2)C1.
What is the InChIKey of (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide?
The InChIKey is YNRCBADLRINERA-OMJPZEPFSA-N. The full InChI is InChI=1S/C37H32Cl2N6O/c38-25-14-12-23(13-15-25)35-28-17-26(39)18-30-31(28)32(36-33(41-21-45(35)36)22-7-2-1-3-8-22)34(42-30)37(46)43-29-11-5-4-9-24(29)19-44-16-6-10-27(40)20-44/h1-5,7-9,11-15,17-18,21,27,35,42H,6,10,16,19-20,40H2,(H,43,46)/t27?,35-/m1/s1.
What are the key properties of (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide?
(7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide has a molecular weight of 647.61 g/mol, XLogP of 8.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[2-[(3-aminopiperidin-1-yl)methyl]phenyl]-10-chloro-7-(4-chlorophenyl)-3-phenyl-4,6,13-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2,4,8(15),9,11-hexaene-14-carboxamide is sourced from PubChem (CID 71155644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).