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

C20H20N4O — CID 53185509

IUPAC1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C20H20N4O/c1-14-4-6-16(7-5-14)20-17-13-24(10-8-18(17)22-23-20)19(25)11-15-3-2-9-21-12-15/h2-7,9,12H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyOWCBJXJHVPKPFJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.91
Rot. Bonds3

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

1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (PubChem CID 53185509) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
PubChem CID53185509
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone
SMILESCc1ccc(-c2n[nH]c3c2CN(C(=O)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C20H20N4O/c1-14-4-6-16(7-5-14)20-17-13-24(10-8-18(17)22-23-20)19(25)11-15-3-2-9-21-12-15/h2-7,9,12H,8,10-11,13H2,1H3,(H,22,23)
InChIKeyOWCBJXJHVPKPFJ-UHFFFAOYSA-N
XLogP2.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone (CID 53185509) is 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is Cc1ccc(-c2n[nH]c3c2CN(C(=O)Cc2cccnc2)CC3)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
The InChIKey is OWCBJXJHVPKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-4-6-16(7-5-14)20-17-13-24(10-8-18(17)22-23-20)19(25)11-15-3-2-9-21-12-15/h2-7,9,12H,8,10-11,13H2,1H3,(H,22,23).
What are the key properties of 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone?
1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone has a molecular weight of 332.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 53185509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).