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

C20H19ClN4O3 — CID 117073886

IUPAC1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)C1
InChIInChI=1S/C20H19ClN4O3/c21-16-4-2-1-3-15(16)18(26)20(28)25-8-7-12(11-25)19(27)23-14-5-6-17-13(9-14)10-22-24-17/h1-6,9-10,12,18,26H,7-8,11H2,(H,22,24)(H,23,27)/t12?,18-/m0/s1
InChIKeyGOAOPOZLLPTACV-ZJFPTPTDSA-N
MW398.85 g/mol
LogP2.74
Rot. Bonds4

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

1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 117073886) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID117073886
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)C1
InChIInChI=1S/C20H19ClN4O3/c21-16-4-2-1-3-15(16)18(26)20(28)25-8-7-12(11-25)19(27)23-14-5-6-17-13(9-14)10-22-24-17/h1-6,9-10,12,18,26H,7-8,11H2,(H,22,24)(H,23,27)/t12?,18-/m0/s1
InChIKeyGOAOPOZLLPTACV-ZJFPTPTDSA-N
XLogP2.74
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117072886
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-3-carboxamide
CID 117074039
1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 117073818
N-(1H-indazol-5-yl)-1-(pyridine-2-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072877
N-(1H-indazol-5-yl)-1-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072891
N-(1H-indazol-5-yl)-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117072879
1-[2-amino-2-(4-bromophenyl)acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117073061
1-[2-amino-2-(3-bromophenyl)acetyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117073063
2-(4-bromophenyl)-2-hydroxy-1-[3-(1H-indazol-5-ylamino)pyrrolidin-1-yl]ethanone
CID 117073106
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110731200
(3S)-1-[(2S)-2-hydroxy-2-phenylacetyl]-N-[4-[4-[[(3R)-1-[(2R)-2-hydroxy-2-phenylacetyl]pyrrolidine-3-carbonyl]amino]phenyl]phenyl]pyrrolidine-3-carboxamide
CID 51035635

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (CID 117073886) is 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CCN(C(=O)[C@@H](O)c2ccccc2Cl)C1.
What is the InChIKey of 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is GOAOPOZLLPTACV-ZJFPTPTDSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-16-4-2-1-3-15(16)18(26)20(28)25-8-7-12(11-25)19(27)23-14-5-6-17-13(9-14)10-22-24-17/h1-6,9-10,12,18,26H,7-8,11H2,(H,22,24)(H,23,27)/t12?,18-/m0/s1.
What are the key properties of 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-chlorophenyl)-2-hydroxyacetyl]-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117073886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).