2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

C20H20N6O2 — CID 59258876

IUPAC2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2CC1CCOC1
InChIInChI=1S/C20H20N6O2/c1-11-15-7-16(14-6-13-2-4-22-17(13)23-8-14)19(27)26(9-12-3-5-28-10-12)18(15)25-20(21)24-11/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyOVFRALSDTFZPRQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.26
Rot. Bonds3

About 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one

2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59258876) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59258876
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2CC1CCOC1
InChIInChI=1S/C20H20N6O2/c1-11-15-7-16(14-6-13-2-4-22-17(13)23-8-14)19(27)26(9-12-3-5-28-10-12)18(15)25-20(21)24-11/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyOVFRALSDTFZPRQ-UHFFFAOYSA-N
XLogP2.26
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 59258876) is 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(N)nc2c1cc(-c1cnc3[nH]ccc3c1)c(=O)n2CC1CCOC1.
What is the InChIKey of 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OVFRALSDTFZPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11-15-7-16(14-6-13-2-4-22-17(13)23-8-14)19(27)26(9-12-3-5-28-10-12)18(15)25-20(21)24-11/h2,4,6-8,12H,3,5,9-10H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 376.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-8-(oxolan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59258876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).