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

C23H30F3N5O2 — CID 118161740

IUPAC3-(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
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CCOCC(F)C3)C[C@@H]12
InChIInChI=1S/C23H30F3N5O2/c1-12(2)31-19(8-18(29-31)13-5-20(33-23(25)26)22(27)28-9-13)21-16-6-15(7-17(16)21)30-3-4-32-11-14(24)10-30/h5,8-9,12,14-17,21,23H,3-4,6-7,10-11H2,1-2H3,(H2,27,28)/t14?,15?,16-,17+,21?
InChIKeyHQJSEIGWAPFSQL-SEBLRQCZSA-N
MW465.52 g/mol
LogP3.87
Rot. Bonds6

About 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

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 (PubChem CID 118161740) has the molecular formula C23H30F3N5O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID118161740
Molecular FormulaC23H30F3N5O2
Molecular Weight465.52 g/mol
Exact Mass465.24
IUPAC Name3-(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
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CCOCC(F)C3)C[C@@H]12
InChIInChI=1S/C23H30F3N5O2/c1-12(2)31-19(8-18(29-31)13-5-20(33-23(25)26)22(27)28-9-13)21-16-6-15(7-17(16)21)30-3-4-32-11-14(24)10-30/h5,8-9,12,14-17,21,23H,3-4,6-7,10-11H2,1-2H3,(H2,27,28)/t14?,15?,16-,17+,21?
InChIKeyHQJSEIGWAPFSQL-SEBLRQCZSA-N
XLogP3.87
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-5-[5-[(6R)-4-(6-fluoro-1,4-oxazepan-4-yl)-1-bicyclo[4.1.0]heptanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 154971601
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
5-[5-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123161553
(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
5-[1-butan-2-yl-5-[3-(1,3-oxazepan-3-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123165614
5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
CID 90292677
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-butan-2-yl-5-[3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123577726
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-[(1S,5R)-3-(3-methoxypyrrolidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 118161591
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CC(N3CCOCC(F)C3)C[C@@H]12.
What is the InChIKey of 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?
The InChIKey is HQJSEIGWAPFSQL-SEBLRQCZSA-N. The full InChI is InChI=1S/C23H30F3N5O2/c1-12(2)31-19(8-18(29-31)13-5-20(33-23(25)26)22(27)28-9-13)21-16-6-15(7-17(16)21)30-3-4-32-11-14(24)10-30/h5,8-9,12,14-17,21,23H,3-4,6-7,10-11H2,1-2H3,(H2,27,28)/t14?,15?,16-,17+,21?.
What are the key properties of 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?
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 has a molecular weight of 465.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118161740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).