7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide

C19H14FN5O — CID 155963022

IUPAC7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(F)cc3cnccc23)cn1
InChIInChI=1S/C19H14FN5O/c1-12-22-6-7-25(12)18-3-2-15(11-23-18)24-19(26)17-9-14(20)8-13-10-21-5-4-16(13)17/h2-11H,1H3,(H,24,26)
InChIKeyFQWDXXPEUSZHBU-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.52
Rot. Bonds3

About 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide

7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide (PubChem CID 155963022) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
PubChem CID155963022
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(F)cc3cnccc23)cn1
InChIInChI=1S/C19H14FN5O/c1-12-22-6-7-25(12)18-3-2-15(11-23-18)24-19(26)17-9-14(20)8-13-10-21-5-4-16(13)17/h2-11H,1H3,(H,24,26)
InChIKeyFQWDXXPEUSZHBU-UHFFFAOYSA-N
XLogP3.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 75434860
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2-oxazole-3-carboxamide
CID 90565097
1-(4-chlorophenyl)-5-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-1,2,4-triazole-3-carboxamide
CID 78902307
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
1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 56815888
2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55856619
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2,2-diphenylacetamide
CID 90565042
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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide?
The IUPAC name of 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide (CID 155963022) is 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide.
What is the SMILES notation for 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide?
The canonical SMILES for 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide is Cc1nccn1-c1ccc(NC(=O)c2cc(F)cc3cnccc23)cn1.
What is the InChIKey of 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide?
The InChIKey is FQWDXXPEUSZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c1-12-22-6-7-25(12)18-3-2-15(11-23-18)24-19(26)17-9-14(20)8-13-10-21-5-4-16(13)17/h2-11H,1H3,(H,24,26).
What are the key properties of 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide?
7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]isoquinoline-5-carboxamide is sourced from PubChem (CID 155963022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).