6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid

C19H16N4O2 — CID 56757920

IUPAC6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C19H16N4O2/c1-12-7-8-15(19(24)25)18(21-12)23-10-14-9-20-17(22-16(14)11-23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyBHSBKSKDZHFNCB-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.07
Rot. Bonds3

About 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid

6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid (PubChem CID 56757920) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid
PubChem CID56757920
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C19H16N4O2/c1-12-7-8-15(19(24)25)18(21-12)23-10-14-9-20-17(22-16(14)11-23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25)
InChIKeyBHSBKSKDZHFNCB-UHFFFAOYSA-N
XLogP3.07
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid (CID 56757920) is 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2Cc3cnc(-c4ccccc4)nc3C2)n1.
What is the InChIKey of 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid?
The InChIKey is BHSBKSKDZHFNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-7-8-15(19(24)25)18(21-12)23-10-14-9-20-17(22-16(14)11-23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,24,25).
What are the key properties of 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid?
6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56757920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).