(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H21ClN4O2 — CID 97084492

IUPAC(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)[C@@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-13-4-1-3-12-15(13)20-21-16(12)19-17(23)14-5-2-8-22(14)11-6-9-24-10-7-11/h1,3-4,11,14H,2,5-10H2,(H2,19,20,21,23)/t14-/m0/s1
InChIKeyFZICBBKBRNVCOR-AWEZNQCLSA-N
MW348.83 g/mol
LogP2.80
Rot. Bonds3

About (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 97084492) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID97084492
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)[C@@H]1CCCN1C1CCOCC1
InChIInChI=1S/C17H21ClN4O2/c18-13-4-1-3-12-15(13)20-21-16(12)19-17(23)14-5-2-8-22(14)11-6-9-24-10-7-11/h1,3-4,11,14H,2,5-10H2,(H2,19,20,21,23)/t14-/m0/s1
InChIKeyFZICBBKBRNVCOR-AWEZNQCLSA-N
XLogP2.80
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1H-indazol-3-yl)-4-morpholineacetamide
CID 10085848
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CID 75389874
N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
CID 136539694
N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955242
N-(7-chloro-1H-indazol-3-yl)-4,4-difluoropyrrolidine-2-carboxamide
CID 120955243
N-(7-chloro-1H-indazol-3-yl)pyrrolidine-2-carboxamide
CID 120272345
N-(6-chloro-1H-indazol-3-yl)-1-pyrrolidineacetamide
CID 67042498
tert-butyl N-[1-[(7-chloro-1H-indazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68470085
tert-butyl N-[(2S)-1-[(7-chloro-1H-indazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68470086
(2S)-2-amino-N-(7-chloro-1H-indazol-3-yl)-3-phenylpropanamide
CID 70275587
N-[N-(5-chloro-1H-indazol-3-yl)-N'-(2-methylpropyl)carbamimidoyl]-2-morpholin-4-ylacetamide
CID 72695304
N'-(6-chloro-1H-indazol-3-yl)-3-[2-(dimethylamino)ethylamino]-2-pyrrolidin-1-ylbutanediamide
CID 90696249

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 97084492) is (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is O=C(Nc1n[nH]c2c(Cl)cccc12)[C@@H]1CCCN1C1CCOCC1.
What is the InChIKey of (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is FZICBBKBRNVCOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c18-13-4-1-3-12-15(13)20-21-16(12)19-17(23)14-5-2-8-22(14)11-6-9-24-10-7-11/h1,3-4,11,14H,2,5-10H2,(H2,19,20,21,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(7-chloro-1H-indazol-3-yl)-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97084492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).