N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide

C17H13ClN6O — CID 175178918

IUPACN-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCn1cc(-c2cc(Cl)c3nnc(NC(=O)C4CC4C#N)cc3c2)cn1
InChIInChI=1S/C17H13ClN6O/c1-24-8-12(7-20-24)9-2-10-5-15(22-23-16(10)14(18)4-9)21-17(25)13-3-11(13)6-19/h2,4-5,7-8,11,13H,3H2,1H3,(H,21,22,25)
InChIKeyFMTDIGRALRESDD-UHFFFAOYSA-N
MW352.79 g/mol
LogP2.78
Rot. Bonds3

About N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 175178918) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID175178918
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC NameN-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCn1cc(-c2cc(Cl)c3nnc(NC(=O)C4CC4C#N)cc3c2)cn1
InChIInChI=1S/C17H13ClN6O/c1-24-8-12(7-20-24)9-2-10-5-15(22-23-16(10)14(18)4-9)21-17(25)13-3-11(13)6-19/h2,4-5,7-8,11,13H,3H2,1H3,(H,21,22,25)
InChIKeyFMTDIGRALRESDD-UHFFFAOYSA-N
XLogP2.78
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-amine
CID 146469814
cis-(1R,2R)-N-[8-chloro-6-(4-methyl-1,2-thiazol-5-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921484
N-[8-chloro-6-(4-cyano-2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343646
N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159760819
4-[[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138591121
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409
5-[8-amino-3-[[(1R,2R)-2-cyanocyclopropanecarbonyl]amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 135343103
2-(diethylamino)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]acetamide
CID 138590694
cis-(1R,2R)-N-[8-chloro-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342639
tert-butyl N-[8-chloro-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]carbamate
CID 135342432
cis-(1R,2R)-N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343613
N-[8-amino-6-(3-ethyl-1-methyl-6-oxo-2-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342493

Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 175178918) is N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide is Cn1cc(-c2cc(Cl)c3nnc(NC(=O)C4CC4C#N)cc3c2)cn1.
What is the InChIKey of N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is FMTDIGRALRESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-24-8-12(7-20-24)9-2-10-5-15(22-23-16(10)14(18)4-9)21-17(25)13-3-11(13)6-19/h2,4-5,7-8,11,13H,3H2,1H3,(H,21,22,25).
What are the key properties of N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 352.79 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 175178918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).