6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C23H26N6O — CID 126942875

IUPAC6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C23H26N6O/c30-23-14-21(18-5-9-24-10-6-18)25-16-29(23)15-17-7-11-28(12-8-17)22-13-19-3-1-2-4-20(19)26-27-22/h5-6,9-10,13-14,16-17H,1-4,7-8,11-12,15H2
InChIKeyGRSGWFRAARVIQI-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.89
Rot. Bonds4

About 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942875) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942875
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=c1cc(-c2ccncc2)ncn1CC1CCN(c2cc3c(nn2)CCCC3)CC1
InChIInChI=1S/C23H26N6O/c30-23-14-21(18-5-9-24-10-6-18)25-16-29(23)15-17-7-11-28(12-8-17)22-13-19-3-1-2-4-20(19)26-27-22/h5-6,9-10,13-14,16-17H,1-4,7-8,11-12,15H2
InChIKeyGRSGWFRAARVIQI-UHFFFAOYSA-N
XLogP2.89
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126945070
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941481
6-pyridin-4-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942838
6-pyridin-4-yl-3-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942634
6-pyridin-4-yl-3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942580
3-[[1-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942888
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929722
3-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942845
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942741
6-pyridin-4-yl-3-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942667
2-[[1-(7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126865118
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942798

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942875) is 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=c1cc(-c2ccncc2)ncn1CC1CCN(c2cc3c(nn2)CCCC3)CC1.
What is the InChIKey of 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is GRSGWFRAARVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c30-23-14-21(18-5-9-24-10-6-18)25-16-29(23)15-17-7-11-28(12-8-17)22-13-19-3-1-2-4-20(19)26-27-22/h5-6,9-10,13-14,16-17H,1-4,7-8,11-12,15H2.
What are the key properties of 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 402.50 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).