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

C22H34N6O2 — CID 127251793

IUPAC2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCC(C)CC1)CC2
InChIInChI=1S/C22H34N6O2/c1-15-4-9-27(10-5-15)20(30)14-26-8-7-19-18(13-26)22(23-3)25-21(24-19)17-6-11-28(12-17)16(2)29/h15,17H,4-14H2,1-3H3,(H,23,24,25)
InChIKeyVTHGTYURRWEMIC-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.47
Rot. Bonds4

About 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

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 (PubChem CID 127251793) has the molecular formula C22H34N6O2 and a molecular weight of 414.55 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-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)ethanone
PubChem CID127251793
Molecular FormulaC22H34N6O2
Molecular Weight414.55 g/mol
Exact Mass414.27
IUPAC Name2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCC(C)CC1)CC2
InChIInChI=1S/C22H34N6O2/c1-15-4-9-27(10-5-15)20(30)14-26-8-7-19-18(13-26)22(23-3)25-21(24-19)17-6-11-28(12-17)16(2)29/h15,17H,4-14H2,1-3H3,(H,23,24,25)
InChIKeyVTHGTYURRWEMIC-UHFFFAOYSA-N
XLogP1.47
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.47
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-(4-methylpiperidin-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

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-[3-[6-acetyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110262327
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
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-[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-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110265898
1-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110082226
2-[4-(methylamino)-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-piperidin-1-ylethanone
CID 92625684
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-[4-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]-3-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 92625056
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-[(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

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-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)ethanone (CID 127251793) is 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.
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-(4-methylpiperidin-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-(4-methylpiperidin-1-yl)ethanone is CNc1nc(C2CCN(C(C)=O)C2)nc2c1CN(CC(=O)N1CCC(C)CC1)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-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is VTHGTYURRWEMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O2/c1-15-4-9-27(10-5-15)20(30)14-26-8-7-19-18(13-26)22(23-3)25-21(24-19)17-6-11-28(12-17)16(2)29/h15,17H,4-14H2,1-3H3,(H,23,24,25).
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-(4-methylpiperidin-1-yl)ethanone?
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 has a molecular weight of 414.55 g/mol, XLogP of 1.47, 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-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 127251793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).