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

C18H20ClN3O3 — CID 138580623

IUPACN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCOC1
InChIInChI=1S/C18H20ClN3O3/c19-10-3-14(13-7-20-22-15(13)4-10)18(24)5-11-12(6-18)16(11)21-17(23)9-1-2-25-8-9/h3-4,7,9,11-12,16,24H,1-2,5-6,8H2,(H,20,22)(H,21,23)/t9?,11-,12+,16?,18?
InChIKeyNIXIXMDXAKITCX-HEBDZULQSA-N
MW361.83 g/mol
LogP1.97
Rot. Bonds3

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

N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide (PubChem CID 138580623) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
PubChem CID138580623
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC NameN-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide
SMILESO=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCOC1
InChIInChI=1S/C18H20ClN3O3/c19-10-3-14(13-7-20-22-15(13)4-10)18(24)5-11-12(6-18)16(11)21-17(23)9-1-2-25-8-9/h3-4,7,9,11-12,16,24H,1-2,5-6,8H2,(H,20,22)(H,21,23)/t9?,11-,12+,16?,18?
InChIKeyNIXIXMDXAKITCX-HEBDZULQSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide?
The IUPAC name of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide (CID 138580623) is N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide is O=C(NC1[C@H]2CC(O)(c3cc(Cl)cc4[nH]ncc34)C[C@@H]12)C1CCOC1.
What is the InChIKey of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide?
The InChIKey is NIXIXMDXAKITCX-HEBDZULQSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-10-3-14(13-7-20-22-15(13)4-10)18(24)5-11-12(6-18)16(11)21-17(23)9-1-2-25-8-9/h3-4,7,9,11-12,16,24H,1-2,5-6,8H2,(H,20,22)(H,21,23)/t9?,11-,12+,16?,18?.
What are the key properties of N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide?
N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-3-(6-chloro-1H-indazol-4-yl)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]oxolane-3-carboxamide is sourced from PubChem (CID 138580623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).