N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C18H14ClN5O — CID 135343600

IUPACN-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CC4)ncc3c(Cl)c2C#N)cn1
InChIInChI=1S/C18H14ClN5O/c1-24-9-12(7-22-24)13-4-11-5-16(23-18(25)10-2-3-10)21-8-15(11)17(19)14(13)6-20/h4-5,7-10H,2-3H2,1H3,(H,21,23,25)
InChIKeyLKNHGBQOFGHBRI-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.51
Rot. Bonds3

About N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135343600) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135343600
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2cc3cc(NC(=O)C4CC4)ncc3c(Cl)c2C#N)cn1
InChIInChI=1S/C18H14ClN5O/c1-24-9-12(7-22-24)13-4-11-5-16(23-18(25)10-2-3-10)21-8-15(11)17(19)14(13)6-20/h4-5,7-10H,2-3H2,1H3,(H,21,23,25)
InChIKeyLKNHGBQOFGHBRI-UHFFFAOYSA-N
XLogP3.51
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-7-fluoro-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide;bis(N-(8-amino-7-methylisoquinolin-3-yl)cyclopropanecarboxamide);N-[8-amino-6-(2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 161325599
4-amino-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138587611
4-[2-cyano-3-(1-methylpyrazol-4-yl)anilino]-6-(cyclopropanecarbonylamino)-N-methoxypyridine-3-carboxamide
CID 167101353
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
4-[[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 138588832
cis-(1R,2R)-N-[8-chloro-7-cyano-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921661
4-(dimethylamino)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138586982
N-[8-chloro-7-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 163747523
1-(2-fluoroethyl)-N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
CID 138587793
N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344868
cis-(1R,2S)-N-[8-amino-6-[4-methyl-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135344871
4-amino-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138590409

Frequently Asked Questions

What is the IUPAC name of N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 135343600) is N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CC4)ncc3c(Cl)c2C#N)cn1.
What is the InChIKey of N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is LKNHGBQOFGHBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-24-9-12(7-22-24)13-4-11-5-16(23-18(25)10-2-3-10)21-8-15(11)17(19)14(13)6-20/h4-5,7-10H,2-3H2,1H3,(H,21,23,25).
What are the key properties of N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-chloro-7-cyano-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135343600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).