3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane

C20H29F3N4O — CID 144866404

IUPAC3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
SMILESCC.CC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1.FC1CC2C[C@H]2C1
InChIInChI=1S/C12H14F2N4O.C6H9F.C2H6/c1-7(2)18-4-3-9(17-18)8-5-10(19-12(13)14)11(15)16-6-8;7-6-2-4-1-5(4)3-6;1-2/h3-7,12H,1-2H3,(H2,15,16);4-6H,1-3H2;1-2H3/t;4-,5?,6?;/m.0./s1
InChIKeyDULFOONIKDASCQ-RKHPNKGMSA-N
MW398.47 g/mol
LogP5.49
Rot. Bonds4

About 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane

3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane (PubChem CID 144866404) has the molecular formula C20H29F3N4O and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
PubChem CID144866404
Molecular FormulaC20H29F3N4O
Molecular Weight398.47 g/mol
Exact Mass398.23
IUPAC Name3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
SMILESCC.CC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1.FC1CC2C[C@H]2C1
InChIInChI=1S/C12H14F2N4O.C6H9F.C2H6/c1-7(2)18-4-3-9(17-18)8-5-10(19-12(13)14)11(15)16-6-8;7-6-2-4-1-5(4)3-6;1-2/h3-7,12H,1-2H3,(H2,15,16);4-6H,1-3H2;1-2H3/t;4-,5?,6?;/m.0./s1
InChIKeyDULFOONIKDASCQ-RKHPNKGMSA-N
XLogP5.49
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 123584834
(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866370
ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866228
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-[1-[4-[(1S,2R,5R)-1,2-dimethyl-4-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]butan-2-yl]pyrazol-3-yl]pyridin-2-amine
CID 162616420
(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
ethane;(3R)-N-ethyl-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866525
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
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
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
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane?
The IUPAC name of 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane (CID 144866404) is 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane?
The canonical SMILES for 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane is CC.CC(C)n1ccc(-c2cnc(N)c(OC(F)F)c2)n1.FC1CC2C[C@H]2C1.
What is the InChIKey of 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane?
The InChIKey is DULFOONIKDASCQ-RKHPNKGMSA-N. The full InChI is InChI=1S/C12H14F2N4O.C6H9F.C2H6/c1-7(2)18-4-3-9(17-18)8-5-10(19-12(13)14)11(15)16-6-8;7-6-2-4-1-5(4)3-6;1-2/h3-7,12H,1-2H3,(H2,15,16);4-6H,1-3H2;1-2H3/t;4-,5?,6?;/m.0./s1.
What are the key properties of 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane?
3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane has a molecular weight of 398.47 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane is sourced from PubChem (CID 144866404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).