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

C15H17ClN4O2 — CID 138580492

IUPAC1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea
SMILESCNC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12
InChIInChI=1S/C15H17ClN4O2/c1-17-14(21)19-13-9-4-15(22,5-10(9)13)11-3-8(16)2-7-6-18-20-12(7)11/h2-3,6,9-10,13,22H,4-5H2,1H3,(H,18,20)(H2,17,19,21)/t9-,10+,13?,15?
InChIKeyWGSYZMMTQPZBJC-NWSOVMFYSA-N
MW320.78 g/mol
LogP1.74
Rot. Bonds2

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

1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea (PubChem CID 138580492) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea.

Molecular Properties

Compound Name1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea
PubChem CID138580492
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea
SMILESCNC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12
InChIInChI=1S/C15H17ClN4O2/c1-17-14(21)19-13-9-4-15(22,5-10(9)13)11-3-8(16)2-7-6-18-20-12(7)11/h2-3,6,9-10,13,22H,4-5H2,1H3,(H,18,20)(H2,17,19,21)/t9-,10+,13?,15?
InChIKeyWGSYZMMTQPZBJC-NWSOVMFYSA-N
XLogP1.74
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]acetamide
CID 138580642
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
6-(5-chloro-1H-indazol-7-yl)-2-methylidene-2-oxo-2λ6-thiaspiro[3.3]heptan-6-ol
CID 161155626
3-(benzenesulfonylmethyl)-1-(5-chloro-1H-indazol-7-yl)cyclobutan-1-ol
CID 158447617
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
N-[(1S,5R)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-2-carboxamide
CID 138580625

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea?
The IUPAC name of 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea (CID 138580492) is 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea.
What is the SMILES notation for 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea?
The canonical SMILES for 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea is CNC(=O)NC1[C@H]2CC(O)(c3cc(Cl)cc4cn[nH]c34)C[C@@H]12.
What is the InChIKey of 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea?
The InChIKey is WGSYZMMTQPZBJC-NWSOVMFYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-17-14(21)19-13-9-4-15(22,5-10(9)13)11-3-8(16)2-7-6-18-20-12(7)11/h2-3,6,9-10,13,22H,4-5H2,1H3,(H,18,20)(H2,17,19,21)/t9-,10+,13?,15?.
What are the key properties of 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea?
1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea has a molecular weight of 320.78 g/mol, XLogP of 1.74, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-(5-chloro-1H-indazol-7-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]-3-methylurea is sourced from PubChem (CID 138580492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).