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

C24H23N5O2 — CID 59794174

IUPAC2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC(C(=O)n3ccc4ccccc43)CC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C24H23N5O2/c1-27-22(30)16-20(17-6-11-25-12-7-17)26-24(27)28-13-8-19(9-14-28)23(31)29-15-10-18-4-2-3-5-21(18)29/h2-7,10-12,15-16,19H,8-9,13-14H2,1H3
InChIKeyFAZJLRMNLFGRGP-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.35
Rot. Bonds3

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

2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59794174) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59794174
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCC(C(=O)n3ccc4ccccc43)CC2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C24H23N5O2/c1-27-22(30)16-20(17-6-11-25-12-7-17)26-24(27)28-13-8-19(9-14-28)23(31)29-15-10-18-4-2-3-5-21(18)29/h2-7,10-12,15-16,19H,8-9,13-14H2,1H3
InChIKeyFAZJLRMNLFGRGP-UHFFFAOYSA-N
XLogP3.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59794174) is 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCC(C(=O)n3ccc4ccccc43)CC2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is FAZJLRMNLFGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-27-22(30)16-20(17-6-11-25-12-7-17)26-24(27)28-13-8-19(9-14-28)23(31)29-15-10-18-4-2-3-5-21(18)29/h2-7,10-12,15-16,19H,8-9,13-14H2,1H3.
What are the key properties of 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(indole-1-carbonyl)piperidin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59794174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).