6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide

C14H11FN4O — CID 167816898

IUPAC6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide
SMILESCN(C(=O)c1cc(F)cc2ccncc12)c1cn[nH]c1
InChIInChI=1S/C14H11FN4O/c1-19(11-6-17-18-7-11)14(20)12-5-10(15)4-9-2-3-16-8-13(9)12/h2-8H,1H3,(H,17,18)
InChIKeyHHPACIDNFMENDN-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.37
Rot. Bonds2

About 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide

6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide (PubChem CID 167816898) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide
PubChem CID167816898
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide
SMILESCN(C(=O)c1cc(F)cc2ccncc12)c1cn[nH]c1
InChIInChI=1S/C14H11FN4O/c1-19(11-6-17-18-7-11)14(20)12-5-10(15)4-9-2-3-16-8-13(9)12/h2-8H,1H3,(H,17,18)
InChIKeyHHPACIDNFMENDN-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
2-amino-5-bromo-4-fluoro-N-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 166349810
5-fluoro-2-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936071
5-chloro-N-methyl-N-(1H-pyrazol-4-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 166349844
3-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 105069144
4-cyclopropyl-N-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 154852891
5-N-methyl-5-N-(1H-pyrazol-4-yl)-1H-pyrazole-3,5-dicarboxamide
CID 166349837
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
8-fluoro-N-methyl-N-(1H-pyrazol-4-yl)imidazo[1,5-a]pyridine-3-carboxamide
CID 166293884
1-N-(azetidin-3-yl)-1-N,4-N-dimethyl-4-N-(1H-pyrazol-4-yl)benzene-1,4-dicarboxamide
CID 162705866
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide (CID 167816898) is 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide is CN(C(=O)c1cc(F)cc2ccncc12)c1cn[nH]c1.
What is the InChIKey of 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide?
The InChIKey is HHPACIDNFMENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-19(11-6-17-18-7-11)14(20)12-5-10(15)4-9-2-3-16-8-13(9)12/h2-8H,1H3,(H,17,18).
What are the key properties of 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide?
6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(1H-pyrazol-4-yl)isoquinoline-8-carboxamide is sourced from PubChem (CID 167816898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).