5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

C26H36F2N6O — CID 123567308

IUPAC5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CCN4CCCC4C3)CC21
InChIInChI=1S/C26H36F2N6O/c1-3-15(2)34-22(12-21(31-34)16-9-23(35-26(27)28)25(29)30-13-16)24-19-10-18(11-20(19)24)33-8-7-32-6-4-5-17(32)14-33/h9,12-13,15,17-20,24,26H,3-8,10-11,14H2,1-2H3,(H2,29,30)
InChIKeyGPMDUNKBVGIELT-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.37
Rot. Bonds7

About 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 123567308) has the molecular formula C26H36F2N6O and a molecular weight of 486.61 g/mol. Its IUPAC name is 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID123567308
Molecular FormulaC26H36F2N6O
Molecular Weight486.61 g/mol
Exact Mass486.29
IUPAC Name5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESCCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CCN4CCCC4C3)CC21
InChIInChI=1S/C26H36F2N6O/c1-3-15(2)34-22(12-21(31-34)16-9-23(35-26(27)28)25(29)30-13-16)24-19-10-18(11-20(19)24)33-8-7-32-6-4-5-17(32)14-33/h9,12-13,15,17-20,24,26H,3-8,10-11,14H2,1-2H3,(H2,29,30)
InChIKeyGPMDUNKBVGIELT-UHFFFAOYSA-N
XLogP4.37
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)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
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117678327
5-[2-cyclopropyl-6-[(1S,4S)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 117688818
US10544143, Example 1067
CID 138687106
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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 123567308) is 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is CCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1C2CC(N3CCN4CCCC4C3)CC21.
What is the InChIKey of 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is GPMDUNKBVGIELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F2N6O/c1-3-15(2)34-22(12-21(31-34)16-9-23(35-26(27)28)25(29)30-13-16)24-19-10-18(11-20(19)24)33-8-7-32-6-4-5-17(32)14-33/h9,12-13,15,17-20,24,26H,3-8,10-11,14H2,1-2H3,(H2,29,30).
What are the key properties of 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 486.61 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-butan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 123567308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).