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

C24H23ClN4O — CID 11531828

IUPAC3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1
InChIInChI=1S/C24H23ClN4O/c1-16-18(24(30)29-11-3-2-7-22(29)27-16)10-14-28-12-8-17(9-13-28)19-15-26-21-6-4-5-20(25)23(19)21/h2-8,11,15,26H,9-10,12-14H2,1H3
InChIKeyIMJOTUKQEVAREK-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.47
Rot. Bonds4

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

3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 11531828) has the molecular formula C24H23ClN4O and a molecular weight of 418.93 g/mol. Its IUPAC name is 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID11531828
Molecular FormulaC24H23ClN4O
Molecular Weight418.93 g/mol
Exact Mass418.16
IUPAC Name3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1
InChIInChI=1S/C24H23ClN4O/c1-16-18(24(30)29-11-3-2-7-22(29)27-16)10-14-28-12-8-17(9-13-28)19-15-26-21-6-4-5-20(25)23(19)21/h2-8,11,15,26H,9-10,12-14H2,1H3
InChIKeyIMJOTUKQEVAREK-UHFFFAOYSA-N
XLogP4.47
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
4-chloro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 18797343
3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 100766108
6-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 15586443
2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 11099200
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
1-[2-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,3-dimethylindol-2-one
CID 70287990
3-[3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 14580039
2-methyl-3-[2-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]ethyl]pyrido[1,2-a]pyrimidin-4-one
CID 126800488
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
3-[2-[4-[[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 171382458

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 11531828) is 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCN1CC=C(c2c[nH]c3cccc(Cl)c23)CC1.
What is the InChIKey of 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IMJOTUKQEVAREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O/c1-16-18(24(30)29-11-3-2-7-22(29)27-16)10-14-28-12-8-17(9-13-28)19-15-26-21-6-4-5-20(25)23(19)21/h2-8,11,15,26H,9-10,12-14H2,1H3.
What are the key properties of 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 418.93 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11531828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).