(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one

C18H20F2N4O2 — CID 118161644

IUPAC(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(=O)C[C@@H]12
InChIInChI=1S/C18H20F2N4O2/c1-8(2)24-14(16-11-4-10(25)5-12(11)16)6-13(23-24)9-3-15(26-18(19)20)17(21)22-7-9/h3,6-8,11-12,16,18H,4-5H2,1-2H3,(H2,21,22)/t11-,12+,16?
InChIKeyQNKKWWVHLWDULI-HBBFGDNQSA-N
MW362.38 g/mol
LogP3.40
Rot. Bonds5

About (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one

(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one (PubChem CID 118161644) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one.

Molecular Properties

Compound Name(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
PubChem CID118161644
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(=O)C[C@@H]12
InChIInChI=1S/C18H20F2N4O2/c1-8(2)24-14(16-11-4-10(25)5-12(11)16)6-13(23-24)9-3-15(26-18(19)20)17(21)22-7-9/h3,6-8,11-12,16,18H,4-5H2,1-2H3,(H2,21,22)/t11-,12+,16?
InChIKeyQNKKWWVHLWDULI-HBBFGDNQSA-N
XLogP3.40
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one?
The IUPAC name of (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one (CID 118161644) is (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one.
What is the SMILES notation for (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one?
The canonical SMILES for (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(=O)C[C@@H]12.
What is the InChIKey of (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one?
The InChIKey is QNKKWWVHLWDULI-HBBFGDNQSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-8(2)24-14(16-11-4-10(25)5-12(11)16)6-13(23-24)9-3-15(26-18(19)20)17(21)22-7-9/h3,6-8,11-12,16,18H,4-5H2,1-2H3,(H2,21,22)/t11-,12+,16?.
What are the key properties of (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one?
(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one has a molecular weight of 362.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one is sourced from PubChem (CID 118161644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).