N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide

C15H16ClN3O2 — CID 138580642

IUPACN-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide
SMILESCC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12
InChIInChI=1S/C15H16ClN3O2/c1-7(20)18-14-10-4-15(21,5-11(10)14)12-3-9(16)2-8-6-17-19-13(8)12/h2-3,6,10-11,14,21H,4-5H2,1H3,(H,17,19)(H,18,20)/t10-,11+,14?,15?
InChIKeyOWQJBFGHLLXPJB-MPLXBHQASA-N
MW305.77 g/mol
LogP1.95
Rot. Bonds2

About N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide

N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide (PubChem CID 138580642) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide
PubChem CID138580642
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC NameN-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide
SMILESCC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12
InChIInChI=1S/C15H16ClN3O2/c1-7(20)18-14-10-4-15(21,5-11(10)14)12-3-9(16)2-8-6-17-19-13(8)12/h2-3,6,10-11,14,21H,4-5H2,1H3,(H,17,19)(H,18,20)/t10-,11+,14?,15?
InChIKeyOWQJBFGHLLXPJB-MPLXBHQASA-N
XLogP1.95
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea
CID 138580492
1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol
CID 134373219
3-(5-chloro-1H-indazol-7-yl)-1-nitrosoazetidin-3-ol
CID 142311919
3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
CID 158447617
N-(5-chloro-1H-indazol-7-yl)acetamide
CID 119088127
6-(5-chloro-1H-indazol-7-yl)-2-methylidene-2-oxo-2λ6-thiaspiro[3.3]heptan-6-ol
CID 161155626
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]cyclopentanecarboxamide
CID 138580498
tert-butyl 3-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxyspiro[3.5]nonan-7-yl]propanoate
CID 139528407
6-chloro-N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-1H-benzimidazole-2-carboxamide
CID 138580384
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-(methanesulfonamido)benzamide
CID 138580392
(1S,5R)-3-(6-chloro-1H-indazol-4-yl)bicyclo[3.1.0]hexane-3,6-diol
CID 155231247
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
CID 138580623

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide?
The IUPAC name of N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide (CID 138580642) is N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide.
What is the SMILES notation for N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide?
The canonical SMILES for N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide is CC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12.
What is the InChIKey of N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide?
The InChIKey is OWQJBFGHLLXPJB-MPLXBHQASA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-7(20)18-14-10-4-15(21,5-11(10)14)12-3-9(16)2-8-6-17-19-13(8)12/h2-3,6,10-11,14,21H,4-5H2,1H3,(H,17,19)(H,18,20)/t10-,11+,14?,15?.
What are the key properties of N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide?
N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide has a molecular weight of 305.77 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide is sourced from PubChem (CID 138580642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).