N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C23H19ClFN7O — CID 70657536

IUPACN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)N[C@@H](C)Cn3ccc(-c4cc(F)c(C#N)c(Cl)c4)n3)c2)n1
InChIInChI=1S/C23H19ClFN7O/c1-14-4-3-5-22(28-14)31-12-21(27-13-31)23(33)29-15(2)11-32-7-6-20(30-32)16-8-18(24)17(10-26)19(25)9-16/h3-9,12-13,15H,11H2,1-2H3,(H,29,33)/t15-/m0/s1
InChIKeyPHSRIWNXDJWWRJ-HNNXBMFYSA-N
MW463.90 g/mol
LogP3.92
Rot. Bonds6

About N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 70657536) has the molecular formula C23H19ClFN7O and a molecular weight of 463.90 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID70657536
Molecular FormulaC23H19ClFN7O
Molecular Weight463.90 g/mol
Exact Mass463.13
IUPAC NameN-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCc1cccc(-n2cnc(C(=O)N[C@@H](C)Cn3ccc(-c4cc(F)c(C#N)c(Cl)c4)n3)c2)n1
InChIInChI=1S/C23H19ClFN7O/c1-14-4-3-5-22(28-14)31-12-21(27-13-31)23(33)29-15(2)11-32-7-6-20(30-32)16-8-18(24)17(10-26)19(25)9-16/h3-9,12-13,15H,11H2,1-2H3,(H,29,33)/t15-/m0/s1
InChIKeyPHSRIWNXDJWWRJ-HNNXBMFYSA-N
XLogP3.92
TPSA101.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46899752
6-(aminomethyl)-5-(2,4-dichlorophenyl)-N-(1-ethyl-1H-pyrazol-5-yl)-7-methylimidazo(1,2-a)pyrimidine-2-carboxamide
CID 46899938
1-(4-((1H-pyrazol-1-yl)methyl)benzyl)-N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1H-imidazole-4-carboxamide
CID 56836188
Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-amino-N-[3-(2,5-dichlorophenyl)-1-methyl-1H-pyrazol-4-yl]-
CID 58063117
5-amino-N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063225
N-[3-(2,5-dichlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496595
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CID 135326483
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1762943
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1-methyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899756
6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methyl-N-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 46899939
N-[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66850717

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 70657536) is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is Cc1cccc(-n2cnc(C(=O)N[C@@H](C)Cn3ccc(-c4cc(F)c(C#N)c(Cl)c4)n3)c2)n1.
What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is PHSRIWNXDJWWRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19ClFN7O/c1-14-4-3-5-22(28-14)31-12-21(27-13-31)23(33)29-15(2)11-32-7-6-20(30-32)16-8-18(24)17(10-26)19(25)9-16/h3-9,12-13,15H,11H2,1-2H3,(H,29,33)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 70657536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).