(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid

C23H19ClFN5O3 — CID 177004084

IUPAC(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)[C@@H](Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)C1CC1
InChIInChI=1S/C23H19ClFN5O3/c24-16-11-26-20(28-21(23(32)33)13-5-6-13)9-19(16)29-8-7-18-15(22(29)31)10-27-30(18)12-14-3-1-2-4-17(14)25/h1-4,7-11,13,21H,5-6,12H2,(H,26,28)(H,32,33)/t21-/m0/s1
InChIKeyQGMZMIKXSAIFGU-NRFANRHFSA-N
MW467.89 g/mol
LogP3.70
Rot. Bonds7

About (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid

(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid (PubChem CID 177004084) has the molecular formula C23H19ClFN5O3 and a molecular weight of 467.89 g/mol. Its IUPAC name is (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid
PubChem CID177004084
Molecular FormulaC23H19ClFN5O3
Molecular Weight467.89 g/mol
Exact Mass467.12
IUPAC Name(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)[C@@H](Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)C1CC1
InChIInChI=1S/C23H19ClFN5O3/c24-16-11-26-20(28-21(23(32)33)13-5-6-13)9-19(16)29-8-7-18-15(22(29)31)10-27-30(18)12-14-3-1-2-4-17(14)25/h1-4,7-11,13,21H,5-6,12H2,(H,26,28)(H,32,33)/t21-/m0/s1
InChIKeyQGMZMIKXSAIFGU-NRFANRHFSA-N
XLogP3.70
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid with MolForge

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Related Compounds

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-[[(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
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-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-pyridinyl]-1-[(2-chlorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
CID 177003995
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
3-[[5-chloro-4-[1-[(2-chlorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]hexanenitrile
CID 177003935
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
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
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of (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) is (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid is O=C(O)[C@@H](Nc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1)C1CC1.
What is the InChIKey of (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid?
The InChIKey is QGMZMIKXSAIFGU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H19ClFN5O3/c24-16-11-26-20(28-21(23(32)33)13-5-6-13)9-19(16)29-8-7-18-15(22(29)31)10-27-30(18)12-14-3-1-2-4-17(14)25/h1-4,7-11,13,21H,5-6,12H2,(H,26,28)(H,32,33)/t21-/m0/s1.
What are the key properties of (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid?
(2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid has a molecular weight of 467.89 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-chloro-4-[1-[(2-fluorophenyl)methyl]-4-oxopyrazolo[4,5-c]pyridin-5-yl]-2-pyridinyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 177004084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).