2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide

C24H23ClN6O2 — CID 129315730

IUPAC2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C24H23ClN6O2/c1-15-22(24(32)29-20-7-9-33-14-20)30-23(28-15)21-10-17(6-8-26-21)18-11-27-31(13-18)12-16-2-4-19(25)5-3-16/h2-6,8,10-11,13,20H,7,9,12,14H2,1H3,(H,28,30)(H,29,32)/t20-/m0/s1
InChIKeySGGQPCBQRKXDOF-FQEVSTJZSA-N
MW462.94 g/mol
LogP3.86
Rot. Bonds6

About 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide

2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide (PubChem CID 129315730) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
PubChem CID129315730
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]c(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1
InChIInChI=1S/C24H23ClN6O2/c1-15-22(24(32)29-20-7-9-33-14-20)30-23(28-15)21-10-17(6-8-26-21)18-11-27-31(13-18)12-16-2-4-19(25)5-3-16/h2-6,8,10-11,13,20H,7,9,12,14H2,1H3,(H,28,30)(H,29,32)/t20-/m0/s1
InChIKeySGGQPCBQRKXDOF-FQEVSTJZSA-N
XLogP3.86
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 129315581
5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155068439
4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(5-phenyl-1H-imidazol-2-yl)pyridine;2,2,2-trifluoroacetic acid
CID 129315719
(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
CID 97325385
2-[4-[2-[(1S)-1-cyclopropylethyl]-7-methylsulfonyl-1-oxo-3H-isoindol-5-yl]-2-pyridinyl]-N-(3-hydroxycyclobutyl)-5-methyl-1H-imidazole-4-carboxamide
CID 146546303
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
5-chloro-N-(oxolan-3-yl)-1H-pyrazole-3-carboxamide
CID 118356988
3-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]benzamide
CID 125439283
6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 121374799
(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 129315394
N-(cyclobutylmethyl)-5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carboxamide
CID 129315443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide (CID 129315730) is 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide is Cc1[nH]c(-c2cc(-c3cnn(Cc4ccc(Cl)cc4)c3)ccn2)nc1C(=O)N[C@H]1CCOC1.
What is the InChIKey of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
The InChIKey is SGGQPCBQRKXDOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-15-22(24(32)29-20-7-9-33-14-20)30-23(28-15)21-10-17(6-8-26-21)18-11-27-31(13-18)12-16-2-4-19(25)5-3-16/h2-6,8,10-11,13,20H,7,9,12,14H2,1H3,(H,28,30)(H,29,32)/t20-/m0/s1.
What are the key properties of 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide?
2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-pyridinyl]-5-methyl-N-[(3S)-oxolan-3-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 129315730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).