(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C18H24N4O — CID 86292159

IUPAC(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-4-22-14-8-6-5-7-11(14)16(21-22)18(2,3)20-17(23)15-12-9-19-10-13(12)15/h5-8,12-13,15,19H,4,9-10H2,1-3H3,(H,20,23)/t12-,13+,15?
InChIKeyWNTSYPKRANXAIW-NNQSOWQGSA-N
MW312.42 g/mol
LogP1.87
Rot. Bonds4

About (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86292159) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86292159
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-4-22-14-8-6-5-7-11(14)16(21-22)18(2,3)20-17(23)15-12-9-19-10-13(12)15/h5-8,12-13,15,19H,4,9-10H2,1-3H3,(H,20,23)/t12-,13+,15?
InChIKeyWNTSYPKRANXAIW-NNQSOWQGSA-N
XLogP1.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86292159) is (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc21.
What is the InChIKey of (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is WNTSYPKRANXAIW-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22-14-8-6-5-7-11(14)16(21-22)18(2,3)20-17(23)15-12-9-19-10-13(12)15/h5-8,12-13,15,19H,4,9-10H2,1-3H3,(H,20,23)/t12-,13+,15?.
What are the key properties of (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[2-(1-ethylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86292159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).