3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C19H22F2N4O — CID 154971525

IUPAC3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@@H]1C2=C[C@H](C)C[C@H]21
InChIInChI=1S/C19H22F2N4O/c1-9(2)25-15(17-12-4-10(3)5-13(12)17)7-14(24-25)11-6-16(26-19(20)21)18(22)23-8-11/h4,6-10,13,17,19H,5H2,1-3H3,(H2,22,23)/t10-,13+,17+/m0/s1
InChIKeyZGFKKFOOYVJHJA-MNRXQERYSA-N
MW360.41 g/mol
LogP4.39
Rot. Bonds5

About 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 154971525) has the molecular formula C19H22F2N4O and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID154971525
Molecular FormulaC19H22F2N4O
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@@H]1C2=C[C@H](C)C[C@H]21
InChIInChI=1S/C19H22F2N4O/c1-9(2)25-15(17-12-4-10(3)5-13(12)17)7-14(24-25)11-6-16(26-19(20)21)18(22)23-8-11/h4,6-10,13,17,19H,5H2,1-3H3,(H2,22,23)/t10-,13+,17+/m0/s1
InChIKeyZGFKKFOOYVJHJA-MNRXQERYSA-N
XLogP4.39
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-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

Related Compounds

(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
5-[5-(3,3-difluoro-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 140678110
3-(difluoromethoxy)-5-[5-[(2S,4R)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118189358
5-[5-[(1R,5S)-3-(1,4-diazepan-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 154971498
3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 123665383
5-[1-(2,2-difluoroethyl)-5-[(5S,6S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1-enyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 148836529
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(2S,5R)-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]pyridin-2-amine
CID 154971443
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556
5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971519
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(6-fluoro-1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161740
[2-amino-5-[5-[(3S,5S,6S)-3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 154971599
5-[5-[(3S,5S,6S)-3-[(2S)-2,4-dimethylpiperazin-1-yl]-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866262

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 154971525) is 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1[C@@H]1C2=C[C@H](C)C[C@H]21.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is ZGFKKFOOYVJHJA-MNRXQERYSA-N. The full InChI is InChI=1S/C19H22F2N4O/c1-9(2)25-15(17-12-4-10(3)5-13(12)17)7-14(24-25)11-6-16(26-19(20)21)18(22)23-8-11/h4,6-10,13,17,19H,5H2,1-3H3,(H2,22,23)/t10-,13+,17+/m0/s1.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 360.41 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[5-[(3R,5S,6S)-3-methyl-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 154971525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).