(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H32FN5O — CID 31018364

IUPAC(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)N1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1
InChIInChI=1S/C23H32FN5O/c1-16(2)28-10-12-29(13-11-28)18-8-9-21-19(14-18)22(26-27(21)3)23(30)25-15-17-6-4-5-7-20(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,25,30)/t18-/m1/s1
InChIKeySTUDFYQKNSEBCQ-GOSISDBHSA-N
MW413.54 g/mol
LogP2.37
Rot. Bonds5

About (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 31018364) has the molecular formula C23H32FN5O and a molecular weight of 413.54 g/mol. Its IUPAC name is (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID31018364
Molecular FormulaC23H32FN5O
Molecular Weight413.54 g/mol
Exact Mass413.26
IUPAC Name(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)N1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1
InChIInChI=1S/C23H32FN5O/c1-16(2)28-10-12-29(13-11-28)18-8-9-21-19(14-18)22(26-27(21)3)23(30)25-15-17-6-4-5-7-20(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,25,30)/t18-/m1/s1
InChIKeySTUDFYQKNSEBCQ-GOSISDBHSA-N
XLogP2.37
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165304
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
(5S)-5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26223599
5-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56710945
N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164639
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163549
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161837
N-[(2-fluorophenyl)methyl]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinoline-3-carboxamide
CID 159450912
5-[4-[(2-fluorophenyl)methylamino]-4-oxobutanoyl]-1-methyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 53018144
1-methyl-N-(2-phenylethyl)-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165012

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 31018364) is (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)N1CCN([C@@H]2CCc3c(c(C(=O)NCc4ccccc4F)nn3C)C2)CC1.
What is the InChIKey of (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is STUDFYQKNSEBCQ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H32FN5O/c1-16(2)28-10-12-29(13-11-28)18-8-9-21-19(14-18)22(26-27(21)3)23(30)25-15-17-6-4-5-7-20(17)24/h4-7,16,18H,8-15H2,1-3H3,(H,25,30)/t18-/m1/s1.
What are the key properties of (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 31018364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).