1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C24H25N7O3 — CID 142496166

IUPAC1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc32)c2[nH]ncc2c1
InChIInChI=1S/C24H25N7O3/c1-14-10-15-12-26-28-21(15)17(11-14)27-24(34)19-8-4-5-9-30(19)20(32)13-31-18-7-3-2-6-16(18)22(29-31)23(25)33/h2-3,6-7,10-12,19H,4-5,8-9,13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)/t19-/m0/s1
InChIKeyKDWXIKRVSNIWRJ-IBGZPJMESA-N
MW459.51 g/mol
LogP2.34
Rot. Bonds5

About 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 142496166) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID142496166
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc32)c2[nH]ncc2c1
InChIInChI=1S/C24H25N7O3/c1-14-10-15-12-26-28-21(15)17(11-14)27-24(34)19-8-4-5-9-30(19)20(32)13-31-18-7-3-2-6-16(18)22(29-31)23(25)33/h2-3,6-7,10-12,19H,4-5,8-9,13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)/t19-/m0/s1
InChIKeyKDWXIKRVSNIWRJ-IBGZPJMESA-N
XLogP2.34
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 129217031
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tert-butyl 4-[2-(3-carbamoylindazol-1-yl)acetyl]-3-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperazine-1-carboxylate
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CID 55669948
1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71009548
(2R)-N-(1H-indazol-7-yl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 96509806
1-[2-[(2S,3aS,6aS)-2-[(6-bromo-2-pyridinyl)carbamoyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 129217075
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methylcyclopentyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 118093304
1-[2-[(1R,3S)-3-[(3,3-dimethyl-2-oxobutyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 163942175
2-amino-6-[3-[[(2S)-1-[2-(3-carbamoylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-2-fluorophenyl]-1H-benzimidazole-4-carboxylic acid
CID 166883682
1-[2-[(2S,4R)-2-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720661
(2S)-1-[2-[3-acetyl-5-(4-methoxyphenyl)indazol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 138626318

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 142496166) is 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)Cn2nc(C(N)=O)c3ccccc32)c2[nH]ncc2c1.
What is the InChIKey of 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is KDWXIKRVSNIWRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N7O3/c1-14-10-15-12-26-28-21(15)17(11-14)27-24(34)19-8-4-5-9-30(19)20(32)13-31-18-7-3-2-6-16(18)22(29-31)23(25)33/h2-3,6-7,10-12,19H,4-5,8-9,13H2,1H3,(H2,25,33)(H,26,28)(H,27,34)/t19-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[(5-methyl-1H-indazol-7-yl)carbamoyl]piperidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 142496166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).