5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C25H32F3N5O2 — CID 123557410

IUPAC5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4CC3CO4)CC21C
InChIInChI=1S/C25H32F3N5O2/c1-4-13(2)33-20(8-19(31-33)14-5-21(23(29)30-10-14)35-25(26,27)28)22-18-7-15(9-24(18,22)3)32-11-17-6-16(32)12-34-17/h5,8,10,13,15-18,22H,4,6-7,9,11-12H2,1-3H3,(H2,29,30)
InChIKeyLIWXXXOWNCIPQQ-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.75
Rot. Bonds6

About 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 123557410) has the molecular formula C25H32F3N5O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID123557410
Molecular FormulaC25H32F3N5O2
Molecular Weight491.56 g/mol
Exact Mass491.25
IUPAC Name5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4CC3CO4)CC21C
InChIInChI=1S/C25H32F3N5O2/c1-4-13(2)33-20(8-19(31-33)14-5-21(23(29)30-10-14)35-25(26,27)28)22-18-7-15(9-24(18,22)3)32-11-17-6-16(32)12-34-17/h5,8,10,13,15-18,22H,4,6-7,9,11-12H2,1-3H3,(H2,29,30)
InChIKeyLIWXXXOWNCIPQQ-UHFFFAOYSA-N
XLogP4.75
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

3-Methoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78318141
3-methoxy-5-[5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292708
3-(difluoromethoxy)-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 90292721
Dlk-IN-1
CID 90292823
3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 117688571
5-[1-(cyclopropylmethyl)-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 145953091
5-[1-methyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 145961955
5-[1-Cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-methoxypyridin-2-amine
CID 78318138
3-(Cyclopropylmethoxy)-5-[1-(3,3-difluorocyclopentyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]pyridin-2-amine
CID 78318139
5-[1-Cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]-3-propan-2-yloxypyridin-2-amine
CID 78318140
3-(Difluoromethoxy)-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78318246
3-Ethoxy-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78319048

Frequently Asked Questions

What is the IUPAC name of 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 123557410) is 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1C2CC(N3CC4CC3CO4)CC21C.
What is the InChIKey of 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is LIWXXXOWNCIPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O2/c1-4-13(2)33-20(8-19(31-33)14-5-21(23(29)30-10-14)35-25(26,27)28)22-18-7-15(9-24(18,22)3)32-11-17-6-16(32)12-34-17/h5,8,10,13,15-18,22H,4,6-7,9,11-12H2,1-3H3,(H2,29,30).
What are the key properties of 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 491.56 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-butan-2-yl-5-[1-methyl-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123557410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).