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

C18H24ClN5O — CID 53358630

IUPAC5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CN(Cc2ccc(Cl)nc2)CC3)CC1
InChIInChI=1S/C18H24ClN5O/c1-22-7-4-14(5-8-22)24-18(25)15-12-23(9-6-16(15)21-24)11-13-2-3-17(19)20-10-13/h2-3,10,14,21H,4-9,11-12H2,1H3
InChIKeyIVJZHIVEOKTTHA-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.05
Rot. Bonds3

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

5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 53358630) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID53358630
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCC(n2[nH]c3c(c2=O)CN(Cc2ccc(Cl)nc2)CC3)CC1
InChIInChI=1S/C18H24ClN5O/c1-22-7-4-14(5-8-22)24-18(25)15-12-23(9-6-16(15)21-24)11-13-2-3-17(19)20-10-13/h2-3,10,14,21H,4-9,11-12H2,1H3
InChIKeyIVJZHIVEOKTTHA-UHFFFAOYSA-N
XLogP2.05
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 53358630) is 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CN1CCC(n2[nH]c3c(c2=O)CN(Cc2ccc(Cl)nc2)CC3)CC1.
What is the InChIKey of 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is IVJZHIVEOKTTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-22-7-4-14(5-8-22)24-18(25)15-12-23(9-6-16(15)21-24)11-13-2-3-17(19)20-10-13/h2-3,10,14,21H,4-9,11-12H2,1H3.
What are the key properties of 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 361.88 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 53358630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).