(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C17H21FN4O — CID 86292155

IUPAC(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c21
InChIInChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-10-7-19-8-11(10)13)15-9-5-4-6-12(18)14(9)22(3)21-15/h4-6,10-11,13,19H,7-8H2,1-3H3,(H,20,23)/t10-,11+,13?
InChIKeyLXUPDJUMPOSMAY-QYJAPNMZSA-N
MW316.38 g/mol
LogP1.53
Rot. Bonds3

About (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86292155) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86292155
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c21
InChIInChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-10-7-19-8-11(10)13)15-9-5-4-6-12(18)14(9)22(3)21-15/h4-6,10-11,13,19H,7-8H2,1-3H3,(H,20,23)/t10-,11+,13?
InChIKeyLXUPDJUMPOSMAY-QYJAPNMZSA-N
XLogP1.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86292155) is (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(F)c21.
What is the InChIKey of (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LXUPDJUMPOSMAY-QYJAPNMZSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-17(2,20-16(23)13-10-7-19-8-11(10)13)15-9-5-4-6-12(18)14(9)22(3)21-15/h4-6,10-11,13,19H,7-8H2,1-3H3,(H,20,23)/t10-,11+,13?.
What are the key properties of (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(7-fluoro-1-methylindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86292155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).