(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide

C19H17ClN4O3 — CID 117073955

IUPAC(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O3/c20-13-3-1-11(2-4-13)19(27)24-10-15(25)8-17(24)18(26)22-14-5-6-16-12(7-14)9-21-23-16/h1-7,9,15,17,25H,8,10H2,(H,21,23)(H,22,26)/t15-,17+/m0/s1
InChIKeyKPLQZCPUYYFZAD-DOTOQJQBSA-N
MW384.82 g/mol
LogP2.43
Rot. Bonds3

About (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide

(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 117073955) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID117073955
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O3/c20-13-3-1-11(2-4-13)19(27)24-10-15(25)8-17(24)18(26)22-14-5-6-16-12(7-14)9-21-23-16/h1-7,9,15,17,25H,8,10H2,(H,21,23)(H,22,26)/t15-,17+/m0/s1
InChIKeyKPLQZCPUYYFZAD-DOTOQJQBSA-N
XLogP2.43
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-1-[(2S,4R)-4-hydroxy-1-(1H-indazole-5-carbonyl)pyrrolidin-2-yl]propan-1-one
CID 160753900
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2S,4R)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(pyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 71608952
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
(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
(E)-3-(4-chlorophenyl)-N-(1H-indazol-5-yl)prop-2-enamide
CID 17164818
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
1-benzyl-4-(2-fluorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073640
tert-butyl (2R)-2-(1H-indazol-5-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 117074032
(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide
CID 117074033

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide (CID 117073955) is (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)[C@H]1C[C@H](O)CN1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is KPLQZCPUYYFZAD-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-13-3-1-11(2-4-13)19(27)24-10-15(25)8-17(24)18(26)22-14-5-6-16-12(7-14)9-21-23-16/h1-7,9,15,17,25H,8,10H2,(H,21,23)(H,22,26)/t15-,17+/m0/s1.
What are the key properties of (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide?
(2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-chlorobenzoyl)-4-hydroxy-N-(1H-indazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 117073955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).