(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide

C22H29N5O3 — CID 25338848

IUPAC(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2Cc3nc[nH]c3CN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H29N5O3/c1-30-17-9-7-15(8-10-17)12-23-21(28)20-11-18-19(25-14-24-18)13-27(20)22(29)26-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,29)/t20-/m0/s1
InChIKeyRTCCMJPKOGXOOR-FQEVSTJZSA-N
MW411.51 g/mol
LogP2.50
Rot. Bonds5

About (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide

(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide (PubChem CID 25338848) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide
PubChem CID25338848
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide
SMILESCOc1ccc(CNC(=O)[C@@H]2Cc3nc[nH]c3CN2C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C22H29N5O3/c1-30-17-9-7-15(8-10-17)12-23-21(28)20-11-18-19(25-14-24-18)13-27(20)22(29)26-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,29)/t20-/m0/s1
InChIKeyRTCCMJPKOGXOOR-FQEVSTJZSA-N
XLogP2.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide?
The IUPAC name of (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide (CID 25338848) is (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide.
What is the SMILES notation for (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide?
The canonical SMILES for (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide is COc1ccc(CNC(=O)[C@@H]2Cc3nc[nH]c3CN2C(=O)NC2CCCCC2)cc1.
What is the InChIKey of (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide?
The InChIKey is RTCCMJPKOGXOOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-30-17-9-7-15(8-10-17)12-23-21(28)20-11-18-19(25-14-24-18)13-27(20)22(29)26-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,28)(H,24,25)(H,26,29)/t20-/m0/s1.
What are the key properties of (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide?
(6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5,6-dicarboxamide is sourced from PubChem (CID 25338848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).