5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one

C22H19F4N5O2 — CID 177004216

IUPAC5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
SMILESCC(CO)(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(F)cn1)C(F)F
InChIInChI=1S/C22H19F4N5O2/c1-22(12-32,21(25)26)29-19-8-18(16(24)10-27-19)30-7-6-17-14(20(30)33)9-28-31(17)11-13-4-2-3-5-15(13)23/h2-10,21,32H,11-12H2,1H3,(H,27,29)
InChIKeyYDILFIWHYVUKMZ-UHFFFAOYSA-N
MW461.42 g/mol
LogP3.34
Rot. Bonds7

About 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one

5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one (PubChem CID 177004216) has the molecular formula C22H19F4N5O2 and a molecular weight of 461.42 g/mol. Its IUPAC name is 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
PubChem CID177004216
Molecular FormulaC22H19F4N5O2
Molecular Weight461.42 g/mol
Exact Mass461.15
IUPAC Name5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
SMILESCC(CO)(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(F)cn1)C(F)F
InChIInChI=1S/C22H19F4N5O2/c1-22(12-32,21(25)26)29-19-8-18(16(24)10-27-19)30-7-6-17-14(20(30)33)9-28-31(17)11-13-4-2-3-5-15(13)23/h2-10,21,32H,11-12H2,1H3,(H,27,29)
InChIKeyYDILFIWHYVUKMZ-UHFFFAOYSA-N
XLogP3.34
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003867
5-[5-chloro-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003995
2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]propanamide
CID 177003989
5-[5-chloro-2-[[2-hydroxy-1-(3-methyltriazol-4-yl)ethyl]amino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003842
5-[5-chloro-2-[[(1R)-2-hydroxy-1-(oxolan-3-yl)ethyl]amino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177004135
5-[5-chloro-2-[(3-methyl-1,2-oxazol-4-yl)methylamino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177004100
(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid
CID 177004084
1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one
CID 177004373
5-[5-chloro-2-[[(2S,4R)-1,4-dihydroxypentan-2-yl]amino]-4-pyridinyl]-1-[(2,6-difluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177004011
6-[[(2S)-4,4-difluoro-1-hydroxypentan-2-yl]amino]-4-[1-[(2,6-difluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile;ethane;molecular hydrogen
CID 177004034
4-[4-[(2-fluorophenyl)methylamino]-3-methanimidoyl-2-oxo-1-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 177004350
3-[[5-chloro-4-[1-[(2-chlorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]hexanenitrile
CID 177003935

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one (CID 177004216) is 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one is CC(CO)(Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(F)cn1)C(F)F.
What is the InChIKey of 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is YDILFIWHYVUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O2/c1-22(12-32,21(25)26)29-19-8-18(16(24)10-27-19)30-7-6-17-14(20(30)33)9-28-31(17)11-13-4-2-3-5-15(13)23/h2-10,21,32H,11-12H2,1H3,(H,27,29).
What are the key properties of 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one?
5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 461.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1,1-difluoro-3-hydroxy-2-methylpropan-2-yl)amino]-5-fluoro-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 177004216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).