6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H24ClFN4O — CID 67373843

IUPAC6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CCN(Cc2ccc(F)c(Cl)c2)C3)CC1
InChIInChI=1S/C19H24ClFN4O/c1-23-7-4-14(5-8-23)25-19(26)15-6-9-24(12-18(15)22-25)11-13-2-3-17(21)16(20)10-13/h2-3,10,14,22H,4-9,11-12H2,1H3
InChIKeyBHTLHOSOOXNGRQ-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.79
Rot. Bonds3

About 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67373843) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67373843
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC Name6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CCN(Cc2ccc(F)c(Cl)c2)C3)CC1
InChIInChI=1S/C19H24ClFN4O/c1-23-7-4-14(5-8-23)25-19(26)15-6-9-24(12-18(15)22-25)11-13-2-3-17(21)16(20)10-13/h2-3,10,14,22H,4-9,11-12H2,1H3
InChIKeyBHTLHOSOOXNGRQ-UHFFFAOYSA-N
XLogP2.79
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67373843) is 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CN1CCC(n2[nH]c3c(c2=O)CCN(Cc2ccc(F)c(Cl)c2)C3)CC1.
What is the InChIKey of 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is BHTLHOSOOXNGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-23-7-4-14(5-8-23)25-19(26)15-6-9-24(12-18(15)22-25)11-13-2-3-17(21)16(20)10-13/h2-3,10,14,22H,4-9,11-12H2,1H3.
What are the key properties of 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 378.88 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67373843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).