1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

C27H27N5O — CID 23610392

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(CN2C(=O)CC(c3ccccc3)c3c(C)nn(-c4nc(C)cc(C)n4)c32)cc1
InChIInChI=1S/C27H27N5O/c1-17-10-12-21(13-11-17)16-31-24(33)15-23(22-8-6-5-7-9-22)25-20(4)30-32(26(25)31)27-28-18(2)14-19(3)29-27/h5-14,23H,15-16H2,1-4H3
InChIKeyBWZRZGLPFNBUDU-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.96
Rot. Bonds4

About 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 23610392) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
PubChem CID23610392
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(CN2C(=O)CC(c3ccccc3)c3c(C)nn(-c4nc(C)cc(C)n4)c32)cc1
InChIInChI=1S/C27H27N5O/c1-17-10-12-21(13-11-17)16-31-24(33)15-23(22-8-6-5-7-9-22)25-20(4)30-32(26(25)31)27-28-18(2)14-19(3)29-27/h5-14,23H,15-16H2,1-4H3
InChIKeyBWZRZGLPFNBUDU-UHFFFAOYSA-N
XLogP4.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one (CID 23610392) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is Cc1ccc(CN2C(=O)CC(c3ccccc3)c3c(C)nn(-c4nc(C)cc(C)n4)c32)cc1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is BWZRZGLPFNBUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-17-10-12-21(13-11-17)16-31-24(33)15-23(22-8-6-5-7-9-22)25-20(4)30-32(26(25)31)27-28-18(2)14-19(3)29-27/h5-14,23H,15-16H2,1-4H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one?
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 437.55 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-7-[(4-methylphenyl)methyl]-4-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 23610392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).