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

C24H23N5O — CID 122186078

IUPAC1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESCc1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1
InChIInChI=1S/C24H23N5O/c1-17-3-2-4-18(13-17)15-29-11-7-20(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)19-5-9-25-10-6-19/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
InChIKeyFLYHVSBDHYGPDF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.55
Rot. Bonds4

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

1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (PubChem CID 122186078) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
PubChem CID122186078
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one
SMILESCc1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1
InChIInChI=1S/C24H23N5O/c1-17-3-2-4-18(13-17)15-29-11-7-20(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)19-5-9-25-10-6-19/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27)
InChIKeyFLYHVSBDHYGPDF-UHFFFAOYSA-N
XLogP3.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one (CID 122186078) is 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is Cc1cccc(Cn2ccc(N3CCc4[nH]nc(-c5ccncc5)c4C3)cc2=O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
The InChIKey is FLYHVSBDHYGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-3-2-4-18(13-17)15-29-11-7-20(14-23(29)30)28-12-8-22-21(16-28)24(27-26-22)19-5-9-25-10-6-19/h2-7,9-11,13-14H,8,12,15-16H2,1H3,(H,26,27).
What are the key properties of 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one?
1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one has a molecular weight of 397.48 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)pyridin-2-one is sourced from PubChem (CID 122186078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).