5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one

C30H24N4O — CID 153189042

IUPAC5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCNCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C30H24N4O/c1-31-19-24-18-26-28(20-9-4-2-5-10-20)29(21-11-6-3-7-12-21)33-34(26)30(35)27(24)23-14-15-25-22(17-23)13-8-16-32-25/h2-17,31H,18-19H2,1H3
InChIKeyWHQSGMMTLPNLNL-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.63
Rot. Bonds5

About 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one

5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 153189042) has the molecular formula C30H24N4O and a molecular weight of 456.55 g/mol. Its IUPAC name is 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID153189042
Molecular FormulaC30H24N4O
Molecular Weight456.55 g/mol
Exact Mass456.20
IUPAC Name5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCNCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1
InChIInChI=1S/C30H24N4O/c1-31-19-24-18-26-28(20-9-4-2-5-10-20)29(21-11-6-3-7-12-21)33-34(26)30(35)27(24)23-14-15-25-22(17-23)13-8-16-32-25/h2-17,31H,18-19H2,1H3
InChIKeyWHQSGMMTLPNLNL-UHFFFAOYSA-N
XLogP5.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148783799
2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147365910
3-(cyclohexen-1-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152870167
2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
5-methyl-2-phenyl-3-piperidin-1-yl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158881235
7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
CID 165103704
methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
CID 149298104
4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 134347318
N-methyl-1-(5-quinolin-6-ylthiophen-2-yl)methanamine
CID 62635117
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
1-(4-cyclopropyl-2-quinolin-6-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 114367052

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one (CID 153189042) is 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is CNCC1=C(c2ccc3ncccc3c2)C(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c2C1.
What is the InChIKey of 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is WHQSGMMTLPNLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O/c1-31-19-24-18-26-28(20-9-4-2-5-10-20)29(21-11-6-3-7-12-21)33-34(26)30(35)27(24)23-14-15-25-22(17-23)13-8-16-32-25/h2-17,31H,18-19H2,1H3.
What are the key properties of 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one?
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 456.55 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 153189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).