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

C24H23ClFN5O3 — CID 177004135

IUPAC5-[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
SMILESO=c1c2cnn(Cc3ccccc3F)c2ccn1-c1cc(N[C@@H](CO)C2CCOC2)ncc1Cl
InChIInChI=1S/C24H23ClFN5O3/c25-18-11-27-23(29-20(13-32)16-6-8-34-14-16)9-22(18)30-7-5-21-17(24(30)33)10-28-31(21)12-15-3-1-2-4-19(15)26/h1-5,7,9-11,16,20,32H,6,8,12-14H2,(H,27,29)/t16?,20-/m0/s1
InChIKeyMXNFQDUGHKLYDJ-FZCLLLDFSA-N
MW483.93 g/mol
LogP3.23
Rot. Bonds7

About 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

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 (PubChem CID 177004135) has the molecular formula C24H23ClFN5O3 and a molecular weight of 483.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID177004135
Molecular FormulaC24H23ClFN5O3
Molecular Weight483.93 g/mol
Exact Mass483.15
IUPAC Name5-[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
SMILESO=c1c2cnn(Cc3ccccc3F)c2ccn1-c1cc(N[C@@H](CO)C2CCOC2)ncc1Cl
InChIInChI=1S/C24H23ClFN5O3/c25-18-11-27-23(29-20(13-32)16-6-8-34-14-16)9-22(18)30-7-5-21-17(24(30)33)10-28-31(21)12-15-3-1-2-4-19(15)26/h1-5,7,9-11,16,20,32H,6,8,12-14H2,(H,27,29)/t16?,20-/m0/s1
InChIKeyMXNFQDUGHKLYDJ-FZCLLLDFSA-N
XLogP3.23
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

(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
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-[(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-[[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-[(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-[[(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-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]-6-methylpyrazolo[4,5-c]pyridin-4-one
CID 177004347
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
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
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
3-(aminomethylidene)-1-[5-chloro-2-[[(1S)-1-cyclopropyl-2-hydroxyethyl]amino]-4-pyridinyl]-4-[(2-fluorophenyl)methylimino]piperidin-2-one
CID 177004215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2cnn(Cc3ccccc3F)c2ccn1-c1cc(N[C@@H](CO)C2CCOC2)ncc1Cl.
What is the InChIKey of 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?
The InChIKey is MXNFQDUGHKLYDJ-FZCLLLDFSA-N. The full InChI is InChI=1S/C24H23ClFN5O3/c25-18-11-27-23(29-20(13-32)16-6-8-34-14-16)9-22(18)30-7-5-21-17(24(30)33)10-28-31(21)12-15-3-1-2-4-19(15)26/h1-5,7,9-11,16,20,32H,6,8,12-14H2,(H,27,29)/t16?,20-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 483.93 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177004135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).