6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol

C19H24F2N4O2 — CID 123237556

IUPAC6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(O)CC21
InChIInChI=1S/C19H24F2N4O2/c1-3-9(2)25-15(17-12-5-11(26)6-13(12)17)7-14(24-25)10-4-16(27-19(20)21)18(22)23-8-10/h4,7-9,11-13,17,19,26H,3,5-6H2,1-2H3,(H2,22,23)
InChIKeyKSBNRNYMIVGFEN-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.58
Rot. Bonds6

About 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol

6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol (PubChem CID 123237556) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
PubChem CID123237556
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(O)CC21
InChIInChI=1S/C19H24F2N4O2/c1-3-9(2)25-15(17-12-5-11(26)6-13(12)17)7-14(24-25)10-4-16(27-19(20)21)18(22)23-8-10/h4,7-9,11-13,17,19,26H,3,5-6H2,1-2H3,(H2,22,23)
InChIKeyKSBNRNYMIVGFEN-UHFFFAOYSA-N
XLogP3.58
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol with MolForge

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Related Compounds

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
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
(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-[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-[(1R,5S)-3-(5-oxa-2-azaspiro[3.4]octan-2-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 144866081
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-[1-butan-2-yl-5-[3-(2-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 123179537
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
5-(1-butan-2-ylpyrazol-3-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 123584834
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
[2-amino-5-[1-butan-2-yl-5-[3-(3-fluoroazetidin-1-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 123705695

Frequently Asked Questions

What is the IUPAC name of 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol (CID 123237556) is 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol is CCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(O)CC21.
What is the InChIKey of 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
The InChIKey is KSBNRNYMIVGFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-3-9(2)25-15(17-12-5-11(26)6-13(12)17)7-14(24-25)10-4-16(27-19(20)21)18(22)23-8-10/h4,7-9,11-13,17,19,26H,3,5-6H2,1-2H3,(H2,22,23).
What are the key properties of 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol?
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol has a molecular weight of 378.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 123237556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).