N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide

C25H19ClN6O — CID 156739418

IUPACN-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1cc2c(ccn2-c2cc(N)ncn2)cn1
InChIInChI=1S/C25H19ClN6O/c1-15-2-7-19(31-25(33)16-3-5-18(26)6-4-16)10-20(15)21-11-22-17(13-28-21)8-9-32(22)24-12-23(27)29-14-30-24/h2-14H,1H3,(H,31,33)(H2,27,29,30)
InChIKeyRQDHTLMEEVYWFK-UHFFFAOYSA-N
MW454.92 g/mol
LogP5.28
Rot. Bonds4

About N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide

N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide (PubChem CID 156739418) has the molecular formula C25H19ClN6O and a molecular weight of 454.92 g/mol. Its IUPAC name is N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide
PubChem CID156739418
Molecular FormulaC25H19ClN6O
Molecular Weight454.92 g/mol
Exact Mass454.13
IUPAC NameN-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1cc2c(ccn2-c2cc(N)ncn2)cn1
InChIInChI=1S/C25H19ClN6O/c1-15-2-7-19(31-25(33)16-3-5-18(26)6-4-16)10-20(15)21-11-22-17(13-28-21)8-9-32(22)24-12-23(27)29-14-30-24/h2-14H,1H3,(H,31,33)(H2,27,29,30)
InChIKeyRQDHTLMEEVYWFK-UHFFFAOYSA-N
XLogP5.28
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.92
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide with MolForge

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Related Compounds

N-[3-[1-(6-aminopyrimidin-4-yl)indazol-6-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 156739430
N-[3-[1-(6-aminopyrimidin-4-yl)indol-6-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 52919735
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3,4-dimethylbenzamide
CID 59212337
4-[5-[(4-chlorobenzoyl)amino]-2-methylphenyl]-N-(cyclopropylmethyl)benzamide
CID 69201439
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
5-[(4-chlorobenzoyl)amino]-2-methylbenzenesulfonic acid
CID 139946842
N-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 134271243
4-chloro-N-(3-methyl-4-sulfamoylphenyl)benzamide
CID 43246597

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide?
The IUPAC name of N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide (CID 156739418) is N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide?
The canonical SMILES for N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide is Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1cc2c(ccn2-c2cc(N)ncn2)cn1.
What is the InChIKey of N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide?
The InChIKey is RQDHTLMEEVYWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O/c1-15-2-7-19(31-25(33)16-3-5-18(26)6-4-16)10-20(15)21-11-22-17(13-28-21)8-9-32(22)24-12-23(27)29-14-30-24/h2-14H,1H3,(H,31,33)(H2,27,29,30).
What are the key properties of N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide?
N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide has a molecular weight of 454.92 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(6-aminopyrimidin-4-yl)pyrrolo[3,2-c]pyridin-6-yl]-4-methylphenyl]-4-chlorobenzamide is sourced from PubChem (CID 156739418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).