N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide

C18H20ClN3O3 — CID 138580625

IUPACN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCO1
InChIInChI=1S/C18H20ClN3O3/c19-9-4-13(12-8-20-22-14(12)5-9)18(24)6-10-11(7-18)16(10)21-17(23)15-2-1-3-25-15/h4-5,8,10-11,15-16,24H,1-3,6-7H2,(H,20,22)(H,21,23)/t10-,11+,15?,16?,18?
InChIKeyLSZWIACGVWWKTO-MDSOGVMOSA-N
MW361.83 g/mol
LogP2.11
Rot. Bonds3

About N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide

N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide (PubChem CID 138580625) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
PubChem CID138580625
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCO1
InChIInChI=1S/C18H20ClN3O3/c19-9-4-13(12-8-20-22-14(12)5-9)18(24)6-10-11(7-18)16(10)21-17(23)15-2-1-3-25-15/h4-5,8,10-11,15-16,24H,1-3,6-7H2,(H,20,22)(H,21,23)/t10-,11+,15?,16?,18?
InChIKeyLSZWIACGVWWKTO-MDSOGVMOSA-N
XLogP2.11
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]benzenesulfonamide
CID 138580273
1-(6-chloro-1H-indazol-4-yl)cyclopropan-1-ol
CID 138580255
5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide
CID 145244067
(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 126982245
(2S)-N-[(1S,3R)-3-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexyl]oxolane-2-carboxamide
CID 126553234
(2R)-N-(4-ethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 103852363
(2S)-N-[(1S,3R)-3-(5-chloro-2H-indazol-3-yl)cyclopentyl]oxolane-2-carboxamide
CID 126553143
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
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-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 96510032
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-(3-chloro-2H-indazol-6-yl)oxolane-2-carboxamide
CID 166391108

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide (CID 138580625) is N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide is O=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCCO1.
What is the InChIKey of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide?
The InChIKey is LSZWIACGVWWKTO-MDSOGVMOSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-9-4-13(12-8-20-22-14(12)5-9)18(24)6-10-11(7-18)16(10)21-17(23)15-2-1-3-25-15/h4-5,8,10-11,15-16,24H,1-3,6-7H2,(H,20,22)(H,21,23)/t10-,11+,15?,16?,18?.
What are the key properties of N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide?
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide is sourced from PubChem (CID 138580625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).