3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

C24H23N5O2 — CID 126942955

IUPAC3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(c1cc2ccccn2c1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C24H23N5O2/c30-23-13-22(19-4-3-8-25-14-19)26-17-29(23)15-18-6-10-27(11-7-18)24(31)20-12-21-5-1-2-9-28(21)16-20/h1-5,8-9,12-14,16-18H,6-7,10-11,15H2
InChIKeyKSXHYDMCKDBXET-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.11
Rot. Bonds4

About 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 126942955) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID126942955
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESO=C(c1cc2ccccn2c1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C24H23N5O2/c30-23-13-22(19-4-3-8-25-14-19)26-17-29(23)15-18-6-10-27(11-7-18)24(31)20-12-21-5-1-2-9-28(21)16-20/h1-5,8-9,12-14,16-18H,6-7,10-11,15H2
InChIKeyKSXHYDMCKDBXET-UHFFFAOYSA-N
XLogP3.11
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922
3-[[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942974
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942967
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942963
3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943045
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942971
6-pyridin-3-yl-3-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943101
3-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
CID 126943228
6-pyridin-3-yl-3-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943005

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 126942955) is 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is O=C(c1cc2ccccn2c1)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1.
What is the InChIKey of 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is KSXHYDMCKDBXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-23-13-22(19-4-3-8-25-14-19)26-17-29(23)15-18-6-10-27(11-7-18)24(31)20-12-21-5-1-2-9-28(21)16-20/h1-5,8-9,12-14,16-18H,6-7,10-11,15H2.
What are the key properties of 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126942955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).