1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one

C22H18F3N5O2 — CID 177004373

IUPAC1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cnn(Cc3c(F)cccc3F)c2ccn1-c1cc(N[C@@H]2CC[C@H]2O)ncc1F
InChIInChI=1S/C22H18F3N5O2/c23-14-2-1-3-15(24)13(14)11-30-18-6-7-29(22(32)12(18)9-27-30)19-8-21(26-10-16(19)25)28-17-4-5-20(17)31/h1-3,6-10,17,20,31H,4-5,11H2,(H,26,28)/t17-,20-/m1/s1
InChIKeyWENODEOVMFMSNU-YLJYHZDGSA-N
MW441.41 g/mol
LogP2.98
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one

1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one (PubChem CID 177004373) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one
PubChem CID177004373
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cnn(Cc3c(F)cccc3F)c2ccn1-c1cc(N[C@@H]2CC[C@H]2O)ncc1F
InChIInChI=1S/C22H18F3N5O2/c23-14-2-1-3-15(24)13(14)11-30-18-6-7-29(22(32)12(18)9-27-30)19-8-21(26-10-16(19)25)28-17-4-5-20(17)31/h1-3,6-10,17,20,31H,4-5,11H2,(H,26,28)/t17-,20-/m1/s1
InChIKeyWENODEOVMFMSNU-YLJYHZDGSA-N
XLogP2.98
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one with MolForge

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Related Compounds

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
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
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
(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
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-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003867
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-[(3-methyl-1,2-oxazol-4-yl)methylamino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177004100
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-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003995
3-[[5-chloro-4-[1-[(2-chlorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]hexanenitrile
CID 177003935
trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 126790788

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 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) is 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one is O=c1c2cnn(Cc3c(F)cccc3F)c2ccn1-c1cc(N[C@@H]2CC[C@H]2O)ncc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is WENODEOVMFMSNU-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c23-14-2-1-3-15(24)13(14)11-30-18-6-7-29(22(32)12(18)9-27-30)19-8-21(26-10-16(19)25)28-17-4-5-20(17)31/h1-3,6-10,17,20,31H,4-5,11H2,(H,26,28)/t17-,20-/m1/s1.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one?
1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 441.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-5-[5-fluoro-2-[[(1R,2R)-2-hydroxycyclobutyl]amino]-4-pyridinyl]pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 177004373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).