3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one

C24H26N4O — CID 11538269

IUPAC3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1=C(CCN2CC=C(c3c[nH]c4ccccc34)CC2)C(=O)N2C=CC=CC2N1
InChIInChI=1S/C24H26N4O/c1-17-19(24(29)28-12-5-4-8-23(28)26-17)11-15-27-13-9-18(10-14-27)21-16-25-22-7-3-2-6-20(21)22/h2-9,12,16,23,25-26H,10-11,13-15H2,1H3
InChIKeyYAPGFEWCAPBBDD-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.76
Rot. Bonds4

About 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one

3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 11538269) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID11538269
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1=C(CCN2CC=C(c3c[nH]c4ccccc34)CC2)C(=O)N2C=CC=CC2N1
InChIInChI=1S/C24H26N4O/c1-17-19(24(29)28-12-5-4-8-23(28)26-17)11-15-27-13-9-18(10-14-27)21-16-25-22-7-3-2-6-20(21)22/h2-9,12,16,23,25-26H,10-11,13-15H2,1H3
InChIKeyYAPGFEWCAPBBDD-UHFFFAOYSA-N
XLogP3.76
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
CID 44535079
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
6-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 11710902
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11164277
3-[4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-6,7-dimethoxyquinazolin-4-one
CID 11305667
5-chloro-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]thiadiazole
CID 39975216
2a-[5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 44534873
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
2-[4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 54300050
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
CID 71942846

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one (CID 11538269) is 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is CC1=C(CCN2CC=C(c3c[nH]c4ccccc34)CC2)C(=O)N2C=CC=CC2N1.
What is the InChIKey of 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YAPGFEWCAPBBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-19(24(29)28-12-5-4-8-23(28)26-17)11-15-27-13-9-18(10-14-27)21-16-25-22-7-3-2-6-20(21)22/h2-9,12,16,23,25-26H,10-11,13-15H2,1H3.
What are the key properties of 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11538269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).