(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide

C17H20ClN3O2 — CID 126553143

IUPAC(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](c2[nH]nc3ccc(Cl)cc23)C1)[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O2/c18-11-4-6-14-13(9-11)16(21-20-14)10-3-5-12(8-10)19-17(22)15-2-1-7-23-15/h4,6,9-10,12,15H,1-3,5,7-8H2,(H,19,22)(H,20,21)/t10-,12+,15+/m1/s1
InChIKeyUJSQBHLNMQWUBT-GMXABZIVSA-N
MW333.82 g/mol
LogP3.15
Rot. Bonds3

About (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide

(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide (PubChem CID 126553143) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide
PubChem CID126553143
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide
SMILESO=C(N[C@H]1CC[C@@H](c2[nH]nc3ccc(Cl)cc23)C1)[C@@H]1CCCO1
InChIInChI=1S/C17H20ClN3O2/c18-11-4-6-14-13(9-11)16(21-20-14)10-3-5-12(8-10)19-17(22)15-2-1-7-23-15/h4,6,9-10,12,15H,1-3,5,7-8H2,(H,19,22)(H,20,21)/t10-,12+,15+/m1/s1
InChIKeyUJSQBHLNMQWUBT-GMXABZIVSA-N
XLogP3.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S,3R)-3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553234
(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
CID 166391108
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 5084878
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 7027208
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
CID 118795559
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
N-[3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]oxolane-2-carboxamide
CID 77385408
(2S)-N-[(1R,3S)-3-(5-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553219
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide (CID 126553143) is (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide is O=C(N[C@H]1CC[C@@H](c2[nH]nc3ccc(Cl)cc23)C1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide?
The InChIKey is UJSQBHLNMQWUBT-GMXABZIVSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-11-4-6-14-13(9-11)16(21-20-14)10-3-5-12(8-10)19-17(22)15-2-1-7-23-15/h4,6,9-10,12,15H,1-3,5,7-8H2,(H,19,22)(H,20,21)/t10-,12+,15+/m1/s1.
What are the key properties of (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide?
(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide is sourced from PubChem (CID 126553143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).