(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H25FN4O — CID 125169555

IUPAC(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]nc(C(=O)NC3CCN(c4ccccc4F)CC3)c2C1
InChIInChI=1S/C20H25FN4O/c1-13-6-7-17-15(12-13)19(24-23-17)20(26)22-14-8-10-25(11-9-14)18-5-3-2-4-16(18)21/h2-5,13-14H,6-12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyYCCHJZJKMBINBI-ZDUSSCGKSA-N
MW356.44 g/mol
LogP3.07
Rot. Bonds3

About (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 125169555) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID125169555
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESC[C@H]1CCc2[nH]nc(C(=O)NC3CCN(c4ccccc4F)CC3)c2C1
InChIInChI=1S/C20H25FN4O/c1-13-6-7-17-15(12-13)19(24-23-17)20(26)22-14-8-10-25(11-9-14)18-5-3-2-4-16(18)21/h2-5,13-14H,6-12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyYCCHJZJKMBINBI-ZDUSSCGKSA-N
XLogP3.07
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 126776181
N-cyclopropyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874574
N-cyclohexyl-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161464
(5R)-5-tert-butyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 92628342
1-[1-(2-fluorophenyl)piperidin-4-yl]-3-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]urea
CID 31106083
N-(1-benzyl-1,2,4-triazol-3-yl)-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 167830675
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
CID 55705198
(3R)-N-[1-(2-fluorophenyl)piperidin-4-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124756572
5-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 56713531
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 125169555) is (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is C[C@H]1CCc2[nH]nc(C(=O)NC3CCN(c4ccccc4F)CC3)c2C1.
What is the InChIKey of (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is YCCHJZJKMBINBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13-6-7-17-15(12-13)19(24-23-17)20(26)22-14-8-10-25(11-9-14)18-5-3-2-4-16(18)21/h2-5,13-14H,6-12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1.
What are the key properties of (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
(5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 125169555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).