1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

C20H24N6O — CID 56756881

IUPAC1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nc(-c3ccncc3)nc3c2CCNC3)CN1C1CC1
InChIInChI=1S/C20H24N6O/c27-18-9-13(12-26(18)15-1-2-15)10-23-20-16-5-8-22-11-17(16)24-19(25-20)14-3-6-21-7-4-14/h3-4,6-7,13,15,22H,1-2,5,8-12H2,(H,23,24,25)
InChIKeySTVSQQPFLHGPHM-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.61
Rot. Bonds5

About 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one

1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 56756881) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
PubChem CID56756881
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nc(-c3ccncc3)nc3c2CCNC3)CN1C1CC1
InChIInChI=1S/C20H24N6O/c27-18-9-13(12-26(18)15-1-2-15)10-23-20-16-5-8-22-11-17(16)24-19(25-20)14-3-6-21-7-4-14/h3-4,6-7,13,15,22H,1-2,5,8-12H2,(H,23,24,25)
InChIKeySTVSQQPFLHGPHM-UHFFFAOYSA-N
XLogP1.61
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-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 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one (CID 56756881) is 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is O=C1CC(CNc2nc(-c3ccncc3)nc3c2CCNC3)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is STVSQQPFLHGPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c27-18-9-13(12-26(18)15-1-2-15)10-23-20-16-5-8-22-11-17(16)24-19(25-20)14-3-6-21-7-4-14/h3-4,6-7,13,15,22H,1-2,5,8-12H2,(H,23,24,25).
What are the key properties of 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one?
1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 56756881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).