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

C18H21F3N4O — CID 86294660

IUPAC(1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-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(C(F)(F)F)c21
InChIInChI=1S/C18H21F3N4O/c1-17(2,23-16(26)13-10-7-22-8-11(10)13)15-9-5-4-6-12(18(19,20)21)14(9)25(3)24-15/h4-6,10-11,13,22H,7-8H2,1-3H3,(H,23,26)/t10-,11+,13?
InChIKeyNNBCDQGQMSGAFD-QYJAPNMZSA-N
MW366.39 g/mol
LogP2.41
Rot. Bonds3

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

(1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86294660) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86294660
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name(1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-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(C(F)(F)F)c21
InChIInChI=1S/C18H21F3N4O/c1-17(2,23-16(26)13-10-7-22-8-11(10)13)15-9-5-4-6-12(18(19,20)21)14(9)25(3)24-15/h4-6,10-11,13,22H,7-8H2,1-3H3,(H,23,26)/t10-,11+,13?
InChIKeyNNBCDQGQMSGAFD-QYJAPNMZSA-N
XLogP2.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.41
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-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86294660) is (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-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(C(F)(F)F)c21.
What is the InChIKey of (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is NNBCDQGQMSGAFD-QYJAPNMZSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-17(2,23-16(26)13-10-7-22-8-11(10)13)15-9-5-4-6-12(18(19,20)21)14(9)25(3)24-15/h4-6,10-11,13,22H,7-8H2,1-3H3,(H,23,26)/t10-,11+,13?.
What are the key properties of (1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[2-[1-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 2.41, 3 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-methyl-7-(trifluoromethyl)indazol-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86294660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).