N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

C30H33N7O2 — CID 129315581

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H33N7O2/c1-21-28(30(38)34-25-8-10-36(20-25)19-22-5-3-2-4-6-22)35-29(33-21)27-16-23(7-9-32-27)24-15-26(18-31-17-24)37-11-13-39-14-12-37/h2-7,9,15-18,25H,8,10-14,19-20H2,1H3,(H,33,35)(H,34,38)/t25-/m1/s1
InChIKeyGFOGZFUVNUMVIA-RUZDIDTESA-N
MW523.64 g/mol
LogP3.68
Rot. Bonds7

About N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (PubChem CID 129315581) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
PubChem CID129315581
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H33N7O2/c1-21-28(30(38)34-25-8-10-36(20-25)19-22-5-3-2-4-6-22)35-29(33-21)27-16-23(7-9-32-27)24-15-26(18-31-17-24)37-11-13-39-14-12-37/h2-7,9,15-18,25H,8,10-14,19-20H2,1H3,(H,33,35)(H,34,38)/t25-/m1/s1
InChIKeyGFOGZFUVNUMVIA-RUZDIDTESA-N
XLogP3.68
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide with MolForge

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Related Compounds

(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 129315394
2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
CID 129315730
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzamide
CID 25328833
N-(1-benzylpiperidin-3-yl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55850513
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
4-acetyl-N-[(3S)-1-benzylpyrrolidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40811412

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide (CID 129315581) is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
The InChIKey is GFOGZFUVNUMVIA-RUZDIDTESA-N. The full InChI is InChI=1S/C30H33N7O2/c1-21-28(30(38)34-25-8-10-36(20-25)19-22-5-3-2-4-6-22)35-29(33-21)27-16-23(7-9-32-27)24-15-26(18-31-17-24)37-11-13-39-14-12-37/h2-7,9,15-18,25H,8,10-14,19-20H2,1H3,(H,33,35)(H,34,38)/t25-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).