2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone

C22H19ClFN7O — CID 73335331

IUPAC2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
SMILESCc1c(Cl)c(-c2ncccn2)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19ClFN7O/c1-14-20(23)21(22-25-9-3-10-26-22)28-30(14)13-19(32)29-11-2-4-17-18(29)12-27-31(17)16-7-5-15(24)6-8-16/h3,5-10,12H,2,4,11,13H2,1H3
InChIKeyBCHJZORLJKFDKV-UHFFFAOYSA-N
MW451.89 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone

2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone (PubChem CID 73335331) has the molecular formula C22H19ClFN7O and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
PubChem CID73335331
Molecular FormulaC22H19ClFN7O
Molecular Weight451.89 g/mol
Exact Mass451.13
IUPAC Name2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone
SMILESCc1c(Cl)c(-c2ncccn2)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C22H19ClFN7O/c1-14-20(23)21(22-25-9-3-10-26-22)28-30(14)13-19(32)29-11-2-4-17-18(29)12-27-31(17)16-7-5-15(24)6-8-16/h3,5-10,12H,2,4,11,13H2,1H3
InChIKeyBCHJZORLJKFDKV-UHFFFAOYSA-N
XLogP3.61
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The IUPAC name of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone (CID 73335331) is 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The canonical SMILES for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone is Cc1c(Cl)c(-c2ncccn2)nn1CC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
The InChIKey is BCHJZORLJKFDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN7O/c1-14-20(23)21(22-25-9-3-10-26-22)28-30(14)13-19(32)29-11-2-4-17-18(29)12-27-31(17)16-7-5-15(24)6-8-16/h3,5-10,12H,2,4,11,13H2,1H3.
What are the key properties of 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone?
2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone has a molecular weight of 451.89 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methyl-3-pyrimidin-2-ylpyrazol-1-yl)-1-[1-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]ethanone is sourced from PubChem (CID 73335331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).