N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide

C21H30N4O — CID 118166352

IUPACN-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
SMILESCC(C)n1cc2cccc(C(=O)NCC3CCN(C4CCC4)CC3)c2n1
InChIInChI=1S/C21H30N4O/c1-15(2)25-14-17-5-3-8-19(20(17)23-25)21(26)22-13-16-9-11-24(12-10-16)18-6-4-7-18/h3,5,8,14-16,18H,4,6-7,9-13H2,1-2H3,(H,22,26)
InChIKeyCETZTLCFKZTZIA-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.61
Rot. Bonds5

About N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide

N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide (PubChem CID 118166352) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
PubChem CID118166352
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
SMILESCC(C)n1cc2cccc(C(=O)NCC3CCN(C4CCC4)CC3)c2n1
InChIInChI=1S/C21H30N4O/c1-15(2)25-14-17-5-3-8-19(20(17)23-25)21(26)22-13-16-9-11-24(12-10-16)18-6-4-7-18/h3,5,8,14-16,18H,4,6-7,9-13H2,1-2H3,(H,22,26)
InChIKeyCETZTLCFKZTZIA-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide
CID 118166413
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
N-[(1-cyclobutylpiperidin-4-yl)methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041481
3-[4-hydroxy-1-(oxan-4-yl)piperidin-4-yl]-1-(2-propan-2-ylindazol-7-yl)propan-1-one
CID 160829370
N-[[4-fluoro-1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methyl]-2-propan-2-ylindazole-7-carboxamide
CID 118166437
2-cyano-N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]benzamide
CID 125155884
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
N-(cyclopropylmethyl)-6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 56962097
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N-[[1-[2-hydroxy-3-(4-methylsulfonylpiperazin-1-yl)propyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 71714541
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide?
The IUPAC name of N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide (CID 118166352) is N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide.
What is the SMILES notation for N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide?
The canonical SMILES for N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide is CC(C)n1cc2cccc(C(=O)NCC3CCN(C4CCC4)CC3)c2n1.
What is the InChIKey of N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide?
The InChIKey is CETZTLCFKZTZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)25-14-17-5-3-8-19(20(17)23-25)21(26)22-13-16-9-11-24(12-10-16)18-6-4-7-18/h3,5,8,14-16,18H,4,6-7,9-13H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide?
N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutylpiperidin-4-yl)methyl]-2-propan-2-ylindazole-7-carboxamide is sourced from PubChem (CID 118166352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).