1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

C18H14ClFN4O — CID 156735422

IUPAC1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H14ClFN4O/c19-15-8-11(1-2-16(15)20)7-12-9-13(3-5-21-12)24-17-4-6-22-18(25)14(17)10-23-24/h1-3,5,8-10H,4,6-7H2,(H,22,25)
InChIKeyCTKLBFLZYNWBEI-UHFFFAOYSA-N
MW356.79 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one

1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735422) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID156735422
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=C1NCCc2c1cnn2-c1ccnc(Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H14ClFN4O/c19-15-8-11(1-2-16(15)20)7-12-9-13(3-5-21-12)24-17-4-6-22-18(25)14(17)10-23-24/h1-3,5,8-10H,4,6-7H2,(H,22,25)
InChIKeyCTKLBFLZYNWBEI-UHFFFAOYSA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735422) is 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is O=C1NCCc2c1cnn2-c1ccnc(Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is CTKLBFLZYNWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-15-8-11(1-2-16(15)20)7-12-9-13(3-5-21-12)24-17-4-6-22-18(25)14(17)10-23-24/h1-3,5,8-10H,4,6-7H2,(H,22,25).
What are the key properties of 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one?
1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 356.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chloro-4-fluorophenyl)methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).