(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide

C17H22N4O3 — CID 117074033

IUPAC(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H22N4O3/c1-10(2)15(22)17(24)21-7-3-4-14(21)16(23)19-12-5-6-13-11(8-12)9-18-20-13/h5-6,8-10,14-15,22H,3-4,7H2,1-2H3,(H,18,20)(H,19,23)/t14-,15-/m0/s1
InChIKeyVYMNSWHQXJKIDX-GJZGRUSLSA-N
MW330.39 g/mol
LogP1.51
Rot. Bonds4

About (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 117074033) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID117074033
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C17H22N4O3/c1-10(2)15(22)17(24)21-7-3-4-14(21)16(23)19-12-5-6-13-11(8-12)9-18-20-13/h5-6,8-10,14-15,22H,3-4,7H2,1-2H3,(H,18,20)(H,19,23)/t14-,15-/m0/s1
InChIKeyVYMNSWHQXJKIDX-GJZGRUSLSA-N
XLogP1.51
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
tert-butyl (2R)-2-(1H-indazol-5-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 117074032
(2S)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606315
(2R)-2-N-(1H-indazol-5-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 124606314
3-[2,6-dihydroxy-4-[2-(1H-indazol-5-ylcarbamoyl)pyrrolidine-1-carbonyl]benzoyl]-4-hydroxybenzoic acid
CID 71082186
1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[4-(1H-indazol-5-ylamino)-7-methoxyquinazolin-6-yl]pyrrolidine-2-carboxamide
CID 66609695
(2S)-1-[(2S)-2-amino-3-methylbutanoyl]-N-quinolin-6-ylpyrrolidine-2-carboxamide
CID 44818087
(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-naphthalen-2-ylpyrrolidine-2-carboxamide
CID 11476147
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
3-amino-N-(1H-indazol-5-yl)piperidine-1-carboxamide;hydrochloride
CID 171686977
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide (CID 117074033) is (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide is CC(C)[C@H](O)C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is VYMNSWHQXJKIDX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)15(22)17(24)21-7-3-4-14(21)16(23)19-12-5-6-13-11(8-12)9-18-20-13/h5-6,8-10,14-15,22H,3-4,7H2,1-2H3,(H,18,20)(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 117074033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).