N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C38H46Cl2N8O3 — CID 175763817

IUPACN-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESC[C@@H](O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC5CCCCC5)C6)c4Cl)c3Cl)n2C)C1
InChIInChI=1S/C38H46Cl2N8O3/c1-23(49)19-47-17-15-31-29(21-47)41-35(45(31)2)37(50)43-27-13-7-11-25(33(27)39)26-12-8-14-28(34(26)40)44-38(51)36-42-30-22-48(18-16-32(30)46(36)3)20-24-9-5-4-6-10-24/h7-8,11-14,23-24,49H,4-6,9-10,15-22H2,1-3H3,(H,43,50)(H,44,51)/t23-/m1/s1
InChIKeyIZMHUFBLSDUYBA-HSZRJFAPSA-N
MW733.75 g/mol
LogP6.31
Rot. Bonds9

About N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 175763817) has the molecular formula C38H46Cl2N8O3 and a molecular weight of 733.75 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID175763817
Molecular FormulaC38H46Cl2N8O3
Molecular Weight733.75 g/mol
Exact Mass732.31
IUPAC NameN-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESC[C@@H](O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC5CCCCC5)C6)c4Cl)c3Cl)n2C)C1
InChIInChI=1S/C38H46Cl2N8O3/c1-23(49)19-47-17-15-31-29(21-47)41-35(45(31)2)37(50)43-27-13-7-11-25(33(27)39)26-12-8-14-28(34(26)40)44-38(51)36-42-30-22-48(18-16-32(30)46(36)3)20-24-9-5-4-6-10-24/h7-8,11-14,23-24,49H,4-6,9-10,15-22H2,1-3H3,(H,43,50)(H,44,51)/t23-/m1/s1
InChIKeyIZMHUFBLSDUYBA-HSZRJFAPSA-N
XLogP6.31
TPSA120.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.75
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 175763817) is N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is C[C@@H](O)CN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)c5nc6c(n5C)CCN(CC5CCCCC5)C6)c4Cl)c3Cl)n2C)C1.
What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is IZMHUFBLSDUYBA-HSZRJFAPSA-N. The full InChI is InChI=1S/C38H46Cl2N8O3/c1-23(49)19-47-17-15-31-29(21-47)41-35(45(31)2)37(50)43-27-13-7-11-25(33(27)39)26-12-8-14-28(34(26)40)44-38(51)36-42-30-22-48(18-16-32(30)46(36)3)20-24-9-5-4-6-10-24/h7-8,11-14,23-24,49H,4-6,9-10,15-22H2,1-3H3,(H,43,50)(H,44,51)/t23-/m1/s1.
What are the key properties of N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 733.75 g/mol, XLogP of 6.31, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[2-chloro-3-[[5-[(2R)-2-hydroxypropyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-(cyclohexylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 175763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).