N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide

C21H31FN4O2 — CID 118166437

IUPACN-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide
SMILESCC(C)n1cc2cccc(C(=O)NCC3(F)CCN(CC(C)(C)O)CC3)c2n1
InChIInChI=1S/C21H31FN4O2/c1-15(2)26-12-16-6-5-7-17(18(16)24-26)19(27)23-13-21(22)8-10-25(11-9-21)14-20(3,4)28/h5-7,12,15,28H,8-11,13-14H2,1-4H3,(H,23,27)
InChIKeyMXUPFNJWVSZFLJ-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.92
Rot. Bonds6

About N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide

N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide (PubChem CID 118166437) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide
PubChem CID118166437
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC NameN-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide
SMILESCC(C)n1cc2cccc(C(=O)NCC3(F)CCN(CC(C)(C)O)CC3)c2n1
InChIInChI=1S/C21H31FN4O2/c1-15(2)26-12-16-6-5-7-17(18(16)24-26)19(27)23-13-21(22)8-10-25(11-9-21)14-20(3,4)28/h5-7,12,15,28H,8-11,13-14H2,1-4H3,(H,23,27)
InChIKeyMXUPFNJWVSZFLJ-UHFFFAOYSA-N
XLogP2.92
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide with MolForge

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Related Compounds

3-[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
CID 159751507
N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
CID 118166352
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
CID 118166413
2-propan-2-ylindazole-7-carboxamide
CID 118166353
3,5-dichloro-N-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]benzamide
CID 59455776
2-propan-2-ylindazol-7-ol
CID 84717779
3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
CID 160829370
N'-(3-methoxypropyl)-N'-(piperidine-4-carbonyl)-2-propan-2-ylindazole-7-carbohydrazide
CID 118166423
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
2-amino-N-[[4-fluoro-1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]-3-(propan-2-yliminomethyl)benzamide
CID 134256180
CID 90229039
CID 90229039
N-[(4-fluoro-1-isoquinolin-1-ylpiperidin-4-yl)methyl]acetamide
CID 165433026

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide (CID 118166437) is N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide is CC(C)n1cc2cccc(C(=O)NCC3(F)CCN(CC(C)(C)O)CC3)c2n1.
What is the InChIKey of N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide?
The InChIKey is MXUPFNJWVSZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-15(2)26-12-16-6-5-7-17(18(16)24-26)19(27)23-13-21(22)8-10-25(11-9-21)14-20(3,4)28/h5-7,12,15,28H,8-11,13-14H2,1-4H3,(H,23,27).
What are the key properties of N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide?
N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide is sourced from PubChem (CID 118166437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).