6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide

C19H19FN4O2 — CID 166286085

IUPAC6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(F)cc2ccncc12
InChIInChI=1S/C19H19FN4O2/c20-14-8-13-2-4-21-10-16(13)15(9-14)19(26)23-17-6-12(7-18(17)25)11-24-5-1-3-22-24/h1-5,8-10,12,17-18,25H,6-7,11H2,(H,23,26)/t12?,17-,18-/m1/s1
InChIKeyDHKVDDROUPRBCV-VIYFESSGSA-N
MW354.39 g/mol
LogP2.14
Rot. Bonds4

About 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide

6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide (PubChem CID 166286085) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
PubChem CID166286085
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(F)cc2ccncc12
InChIInChI=1S/C19H19FN4O2/c20-14-8-13-2-4-21-10-16(13)15(9-14)19(26)23-17-6-12(7-18(17)25)11-24-5-1-3-22-24/h1-5,8-10,12,17-18,25H,6-7,11H2,(H,23,26)/t12?,17-,18-/m1/s1
InChIKeyDHKVDDROUPRBCV-VIYFESSGSA-N
XLogP2.14
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide (CID 166286085) is 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(F)cc2ccncc12.
What is the InChIKey of 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide?
The InChIKey is DHKVDDROUPRBCV-VIYFESSGSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-14-8-13-2-4-21-10-16(13)15(9-14)19(26)23-17-6-12(7-18(17)25)11-24-5-1-3-22-24/h1-5,8-10,12,17-18,25H,6-7,11H2,(H,23,26)/t12?,17-,18-/m1/s1.
What are the key properties of 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide?
6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-8-carboxamide is sourced from PubChem (CID 166286085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).