2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

C25H30F2N6O2 — CID 175995052

IUPAC2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CCCC5)nn(CC(F)F)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C25H30F2N6O2/c1-24(2)11-17-15(23(34)35-24)8-9-20(30-17)31-21-10-16-18(12-29-21)33(13-19(26)27)32-22(16)25(3,28)14-6-4-5-7-14/h8-10,12,14,19H,4-7,11,13,28H2,1-3H3,(H,29,30,31)/t25-/m1/s1
InChIKeyFLNAQRFWGGWEJS-RUZDIDTESA-N
MW484.55 g/mol
LogP4.69
Rot. Bonds6

About 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one

2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (PubChem CID 175995052) has the molecular formula C25H30F2N6O2 and a molecular weight of 484.55 g/mol. Its IUPAC name is 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
PubChem CID175995052
Molecular FormulaC25H30F2N6O2
Molecular Weight484.55 g/mol
Exact Mass484.24
IUPAC Name2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
SMILESCC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CCCC5)nn(CC(F)F)c4cn3)ccc2C(=O)O1
InChIInChI=1S/C25H30F2N6O2/c1-24(2)11-17-15(23(34)35-24)8-9-20(30-17)31-21-10-16-18(12-29-21)33(13-19(26)27)32-22(16)25(3,28)14-6-4-5-7-14/h8-10,12,14,19H,4-7,11,13,28H2,1-3H3,(H,29,30,31)/t25-/m1/s1
InChIKeyFLNAQRFWGGWEJS-RUZDIDTESA-N
XLogP4.69
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380904
cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
CID 165117793
2-[[5-(2-aminopropan-2-yl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8,9-dihydrooxepino[4,3-b]pyridin-5-one
CID 165380864
2-[[5-[(2R)-2-aminopentan-2-yl]-8-[(2R,4R)-4-methylsulfonylpentan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483923
2-[[5-(2-aminopropan-2-yl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7-dimethylfuro[3,4-b]pyridin-5-one
CID 165380848
(8R)-2-[[5-(1-cyclopropyl-1-hydroxyethyl)-8-(2,2-difluoroethoxy)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166484179
2-[[5-(1-amino-1-cyclopropylethyl)-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 167261640
2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-cyclopropyloxy-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-6,8-dihydro-1,6-naphthyridin-5-one
CID 165381212
(8R)-2-[[5-(1-amino-1-cyclopropylethyl)-8-(1-methylcyclopropyl)oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166663972
(8R)-2-[[5-(2-aminopropan-2-yl)-8-ethoxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381092
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165117583
(8R)-2-[[5-(2-aminopropan-2-yl)-8-[(2R)-1-[(2S)-1,1-dioxothiolan-2-yl]propan-2-yl]oxy-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 166483826

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The IUPAC name of 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one (CID 175995052) is 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one.
What is the SMILES notation for 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The canonical SMILES for 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is CC1(C)Cc2nc(Nc3cc4c([C@](C)(N)C5CCCC5)nn(CC(F)F)c4cn3)ccc2C(=O)O1.
What is the InChIKey of 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
The InChIKey is FLNAQRFWGGWEJS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30F2N6O2/c1-24(2)11-17-15(23(34)35-24)8-9-20(30-17)31-21-10-16-18(12-29-21)33(13-19(26)27)32-22(16)25(3,28)14-6-4-5-7-14/h8-10,12,14,19H,4-7,11,13,28H2,1-3H3,(H,29,30,31)/t25-/m1/s1.
What are the key properties of 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one?
2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one has a molecular weight of 484.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1R)-1-amino-1-cyclopentylethyl]-1-(2,2-difluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one is sourced from PubChem (CID 175995052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).