3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C20H25F2N5O — CID 90292714

IUPAC3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
InChIInChI=1S/C20H25F2N5O/c1-10(2)27-17(18-14-6-26(7-15(14)18)12-8-28-9-12)4-16(25-27)11-3-13(19(21)22)20(23)24-5-11/h3-5,10,12,14-15,18-19H,6-9H2,1-2H3,(H2,23,24)/t14-,15+,18?
InChIKeyGQKOMGVEKYHZII-MVVMVCHASA-N
MW389.45 g/mol
LogP3.09
Rot. Bonds5

About 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 90292714) has the molecular formula C20H25F2N5O and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID90292714
Molecular FormulaC20H25F2N5O
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12
InChIInChI=1S/C20H25F2N5O/c1-10(2)27-17(18-14-6-26(7-15(14)18)12-8-28-9-12)4-16(25-27)11-3-13(19(21)22)20(23)24-5-11/h3-5,10,12,14-15,18-19H,6-9H2,1-2H3,(H2,23,24)/t14-,15+,18?
InChIKeyGQKOMGVEKYHZII-MVVMVCHASA-N
XLogP3.09
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine 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 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 90292714) is 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C1[C@H]2CN(C3COC3)C[C@@H]12.
What is the InChIKey of 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is GQKOMGVEKYHZII-MVVMVCHASA-N. The full InChI is InChI=1S/C20H25F2N5O/c1-10(2)27-17(18-14-6-26(7-15(14)18)12-8-28-9-12)4-16(25-27)11-3-13(19(21)22)20(23)24-5-11/h3-5,10,12,14-15,18-19H,6-9H2,1-2H3,(H2,23,24)/t14-,15+,18?.
What are the key properties of 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 389.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 90292714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).