1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide

C18H17N7O — CID 138587404

IUPAC1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3nn2)cn1
InChIInChI=1S/C18H17N7O/c1-3-25-10-14(8-20-25)18(26)21-17-7-13-6-12(4-5-15(13)22-23-17)16-9-19-11-24(16)2/h4-11H,3H2,1-2H3,(H,21,23,26)
InChIKeyLDFAVVVIMKXEKT-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.50
Rot. Bonds4

About 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide

1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide (PubChem CID 138587404) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide
PubChem CID138587404
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3nn2)cn1
InChIInChI=1S/C18H17N7O/c1-3-25-10-14(8-20-25)18(26)21-17-7-13-6-12(4-5-15(13)22-23-17)16-9-19-11-24(16)2/h4-11H,3H2,1-2H3,(H,21,23,26)
InChIKeyLDFAVVVIMKXEKT-UHFFFAOYSA-N
XLogP2.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138590458
2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138587728
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
2-methoxy-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138590337
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
2-cyano-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586987
N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 138587338
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588309
1-ethyl-N-(4-methoxy-2-pyridinyl)pyrazole-4-carboxamide
CID 75392803

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide (CID 138587404) is 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2cc3cc(-c4cncn4C)ccc3nn2)cn1.
What is the InChIKey of 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
The InChIKey is LDFAVVVIMKXEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-3-25-10-14(8-20-25)18(26)21-17-7-13-6-12(4-5-15(13)22-23-17)16-9-19-11-24(16)2/h4-11H,3H2,1-2H3,(H,21,23,26).
What are the key properties of 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 138587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).