2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one

C22H22N6O2 — CID 135453392

IUPAC2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccc2[nH]cc(N3CCN(c4nc(-c5ccncc5)cc(=O)[nH]4)CC3)c2c1
InChIInChI=1S/C22H22N6O2/c1-30-16-2-3-18-17(12-16)20(14-24-18)27-8-10-28(11-9-27)22-25-19(13-21(29)26-22)15-4-6-23-7-5-15/h2-7,12-14,24H,8-11H2,1H3,(H,25,26,29)
InChIKeyPXCARCBAUOMTET-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.65
Rot. Bonds4

About 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one

2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 135453392) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID135453392
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCOc1ccc2[nH]cc(N3CCN(c4nc(-c5ccncc5)cc(=O)[nH]4)CC3)c2c1
InChIInChI=1S/C22H22N6O2/c1-30-16-2-3-18-17(12-16)20(14-24-18)27-8-10-28(11-9-27)22-25-19(13-21(29)26-22)15-4-6-23-7-5-15/h2-7,12-14,24H,8-11H2,1H3,(H,25,26,29)
InChIKeyPXCARCBAUOMTET-UHFFFAOYSA-N
XLogP2.65
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135762492
4-(4-methoxyphenyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136923018
4-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135520797
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135486202
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2-(4-imidazo[1,2-a]pyridin-5-ylpiperazin-1-yl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135433022
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
4-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135629079
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
4-(4-methylphenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135644799
4-(4-chlorophenyl)-2-[4-(4-chlorophenyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135644855
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 135453392) is 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is COc1ccc2[nH]cc(N3CCN(c4nc(-c5ccncc5)cc(=O)[nH]4)CC3)c2c1.
What is the InChIKey of 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is PXCARCBAUOMTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-30-16-2-3-18-17(12-16)20(14-24-18)27-8-10-28(11-9-27)22-25-19(13-21(29)26-22)15-4-6-23-7-5-15/h2-7,12-14,24H,8-11H2,1H3,(H,25,26,29).
What are the key properties of 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 402.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-1H-indol-3-yl)piperazin-1-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135453392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).