3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one

C19H24N6O2 — CID 72869276

IUPAC3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2nc(OC)c(CNc3nc(N)nc4c3CCCC4)cc2C1=O
InChIInChI=1S/C19H24N6O2/c1-3-25-10-15-13(18(25)26)8-11(17(22-15)27-2)9-21-16-12-6-4-5-7-14(12)23-19(20)24-16/h8H,3-7,9-10H2,1-2H3,(H3,20,21,23,24)
InChIKeyYZSKYRIZMMLHFT-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.93
Rot. Bonds5

About 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one

3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 72869276) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID72869276
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCN1Cc2nc(OC)c(CNc3nc(N)nc4c3CCCC4)cc2C1=O
InChIInChI=1S/C19H24N6O2/c1-3-25-10-15-13(18(25)26)8-11(17(22-15)27-2)9-21-16-12-6-4-5-7-14(12)23-19(20)24-16/h8H,3-7,9-10H2,1-2H3,(H3,20,21,23,24)
InChIKeyYZSKYRIZMMLHFT-UHFFFAOYSA-N
XLogP1.93
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-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 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 72869276) is 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one is CCN1Cc2nc(OC)c(CNc3nc(N)nc4c3CCCC4)cc2C1=O.
What is the InChIKey of 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YZSKYRIZMMLHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-3-25-10-15-13(18(25)26)8-11(17(22-15)27-2)9-21-16-12-6-4-5-7-14(12)23-19(20)24-16/h8H,3-7,9-10H2,1-2H3,(H3,20,21,23,24).
What are the key properties of 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 368.44 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-6-ethyl-2-methoxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 72869276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).