N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C18H16N6OS — CID 47057905

IUPACN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)nc3)n[nH]2)s1
InChIInChI=1S/C18H16N6OS/c1-11-3-5-16(26-11)14-9-15(23-22-14)18(25)21-13-4-6-17(20-10-13)24-8-7-19-12(24)2/h3-10H,1-2H3,(H,21,25)(H,22,23)
InChIKeyVPJZQUFZURLHKC-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.59
Rot. Bonds4

About N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 47057905) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID47057905
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)nc3)n[nH]2)s1
InChIInChI=1S/C18H16N6OS/c1-11-3-5-16(26-11)14-9-15(23-22-14)18(25)21-13-4-6-17(20-10-13)24-8-7-19-12(24)2/h3-10H,1-2H3,(H,21,25)(H,22,23)
InChIKeyVPJZQUFZURLHKC-UHFFFAOYSA-N
XLogP3.59
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 90564904
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazolidine-4-carboxamide
CID 43698331
3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564970
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56815888
1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
CID 78902307
7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
CID 155963022

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 47057905) is N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(-n4ccnc4C)nc3)n[nH]2)s1.
What is the InChIKey of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is VPJZQUFZURLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-11-3-5-16(26-11)14-9-15(23-22-14)18(25)21-13-4-6-17(20-10-13)24-8-7-19-12(24)2/h3-10H,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47057905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).