N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide

C24H27N5O3 — CID 86887251

IUPACN-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O3/c1-16(26-23(31)21-19-7-3-4-8-20(19)27-28-21)22(30)25-15-17-9-11-18(12-10-17)24(32)29-13-5-2-6-14-29/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyWUKKWUIJGIJFCF-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.62
Rot. Bonds6

About N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide

N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86887251) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
PubChem CID86887251
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide
SMILESCC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O3/c1-16(26-23(31)21-19-7-3-4-8-20(19)27-28-21)22(30)25-15-17-9-11-18(12-10-17)24(32)29-13-5-2-6-14-29/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyWUKKWUIJGIJFCF-UHFFFAOYSA-N
XLogP2.62
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[1-(benzylamino)-1-oxopropan-2-yl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136527944
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide (CID 86887251) is N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide is CC(NC(=O)c1n[nH]c2ccccc12)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is WUKKWUIJGIJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16(26-23(31)21-19-7-3-4-8-20(19)27-28-21)22(30)25-15-17-9-11-18(12-10-17)24(32)29-13-5-2-6-14-29/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide?
N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[4-(piperidine-1-carbonyl)phenyl]methylamino]propan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86887251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).