2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C25H32N6O2 — CID 127251792

IUPAC2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCCc3ccccc31)CC2
InChIInChI=1S/C25H32N6O2/c1-17(32)30-13-9-19(14-30)24-27-21-10-12-29(15-20(21)25(26-2)28-24)16-23(33)31-11-5-7-18-6-3-4-8-22(18)31/h3-4,6,8,19H,5,7,9-16H2,1-2H3,(H,26,27,28)
InChIKeyZUVIMYZCAYXHOT-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 127251792) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID127251792
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCCc3ccccc31)CC2
InChIInChI=1S/C25H32N6O2/c1-17(32)30-13-9-19(14-30)24-27-21-10-12-29(15-20(21)25(26-2)28-24)16-23(33)31-11-5-7-18-6-3-4-8-22(18)31/h3-4,6,8,19H,5,7,9-16H2,1-2H3,(H,26,27,28)
InChIKeyZUVIMYZCAYXHOT-UHFFFAOYSA-N
XLogP2.19
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(3R)-3-[4-(methylamino)-6-[(2-piperidin-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125007493
2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 127251793
2-[2-[(3R)-1-acetylpiperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 92624817
2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 127251791
1-[(3R)-3-[6-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124992065
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
1-[(3S)-3-[4-(methylamino)-6-[(3-methyl-4-pyrrolidin-1-ylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125004755
1-[(3S)-3-[6-[(2-methoxy-4-methylphenyl)methyl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 125018925
1-[(3R)-3-[4-(methylamino)-6-(quinoline-8-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124970302
2-[(3S)-3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 125002506
[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
CID 92636376
2-[(3R)-1-acetylpyrrolidin-3-yl]-N,N-diethyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-sulfonamide
CID 125024170

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 127251792) is 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is CNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCCc3ccccc31)CC2.
What is the InChIKey of 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is ZUVIMYZCAYXHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17(32)30-13-9-19(14-30)24-27-21-10-12-29(15-20(21)25(26-2)28-24)16-23(33)31-11-5-7-18-6-3-4-8-22(18)31/h3-4,6,8,19H,5,7,9-16H2,1-2H3,(H,26,27,28).
What are the key properties of 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 448.57 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 127251792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).