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

C23H18ClFN6O2 — CID 177004100

IUPAC5-[5-chloro-2-[(3-methyl-1,2-oxazol-4-yl)methylamino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
SMILESCc1nocc1CNc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1
InChIInChI=1S/C23H18ClFN6O2/c1-14-16(13-33-29-14)9-26-22-8-21(18(24)11-27-22)30-7-6-20-17(23(30)32)10-28-31(20)12-15-4-2-3-5-19(15)25/h2-8,10-11,13H,9,12H2,1H3,(H,26,27)
InChIKeyRJPQSXYZZVEPKB-UHFFFAOYSA-N
MW464.89 g/mol
LogP4.33
Rot. Bonds6

About 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

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 (PubChem CID 177004100) has the molecular formula C23H18ClFN6O2 and a molecular weight of 464.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[5-chloro-2-[(3-methyl-1,2-oxazol-4-yl)methylamino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
PubChem CID177004100
Molecular FormulaC23H18ClFN6O2
Molecular Weight464.89 g/mol
Exact Mass464.12
IUPAC Name5-[5-chloro-2-[(3-methyl-1,2-oxazol-4-yl)methylamino]-4-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrazolo[4,5-c]pyridin-4-one
SMILESCc1nocc1CNc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1
InChIInChI=1S/C23H18ClFN6O2/c1-14-16(13-33-29-14)9-26-22-8-21(18(24)11-27-22)30-7-6-20-17(23(30)32)10-28-31(20)12-15-4-2-3-5-19(15)25/h2-8,10-11,13H,9,12H2,1H3,(H,26,27)
InChIKeyRJPQSXYZZVEPKB-UHFFFAOYSA-N
XLogP4.33
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.89
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nocc1CNc1cc(-n2ccc3c(cnn3Cc3ccccc3F)c2=O)c(Cl)cn1.
What is the InChIKey of 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?
The InChIKey is RJPQSXYZZVEPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN6O2/c1-14-16(13-33-29-14)9-26-22-8-21(18(24)11-27-22)30-7-6-20-17(23(30)32)10-28-31(20)12-15-4-2-3-5-19(15)25/h2-8,10-11,13H,9,12H2,1H3,(H,26,27).
What are the key properties of 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?
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 has a molecular weight of 464.89 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177004100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).