3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C24H30N6O — CID 127251923

IUPAC3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CCN(C)C2
InChIInChI=1S/C24H30N6O/c1-25-24-19-10-11-29(2)15-21(19)27-23(28-24)17-9-12-30(14-17)22(31)8-7-16-13-26-20-6-4-3-5-18(16)20/h3-6,13,17,26H,7-12,14-15H2,1-2H3,(H,25,27,28)
InChIKeyBAHULBAMMYVKRD-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.94
Rot. Bonds5

About 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 127251923) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID127251923
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CCN(C)C2
InChIInChI=1S/C24H30N6O/c1-25-24-19-10-11-29(2)15-21(19)27-23(28-24)17-9-12-30(14-17)22(31)8-7-16-13-26-20-6-4-3-5-18(16)20/h3-6,13,17,26H,7-12,14-15H2,1-2H3,(H,25,27,28)
InChIKeyBAHULBAMMYVKRD-UHFFFAOYSA-N
XLogP2.94
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one 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-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone
CID 110265745
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92622931
3-(3-fluoro-N-methylanilino)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110265794
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
3-(3-chlorophenyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92624743
3-(2-methoxy-N-methylanilino)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 124987538
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
3-(2-methoxyphenyl)-1-[4-(methylamino)-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92624607
3-(1H-indol-3-yl)-1-[3-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 92625414
3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 64598046
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(1H-indol-3-yl)propan-1-one
CID 94061393
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 127251923) is 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is CNc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)nc2c1CCN(C)C2.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is BAHULBAMMYVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-25-24-19-10-11-29(2)15-21(19)27-23(28-24)17-9-12-30(14-17)22(31)8-7-16-13-26-20-6-4-3-5-18(16)20/h3-6,13,17,26H,7-12,14-15H2,1-2H3,(H,25,27,28).
What are the key properties of 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 418.55 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 127251923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).