2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C26H27F3N6O — CID 155531102

IUPAC2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C26H27F3N6O/c1-17-14-34-15-18(12-21(25(34)30-17)26(27,28)29)22-13-24(36)35-16-20(4-5-23(35)31-22)33-10-6-19(7-11-33)32-8-2-3-9-32/h4-5,12-16,19H,2-3,6-11H2,1H3
InChIKeyUBMBHURMKZWLER-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.40
Rot. Bonds3

About 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 155531102) has the molecular formula C26H27F3N6O and a molecular weight of 496.54 g/mol. Its IUPAC name is 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID155531102
Molecular FormulaC26H27F3N6O
Molecular Weight496.54 g/mol
Exact Mass496.22
IUPAC Name2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)cc(C(F)(F)F)c2n1
InChIInChI=1S/C26H27F3N6O/c1-17-14-34-15-18(12-21(25(34)30-17)26(27,28)29)22-13-24(36)35-16-20(4-5-23(35)31-22)33-10-6-19(7-11-33)32-8-2-3-9-32/h4-5,12-16,19H,2-3,6-11H2,1H3
InChIKeyUBMBHURMKZWLER-UHFFFAOYSA-N
XLogP4.40
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 155531102) is 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCC(N6CCCC6)CC5)ccc4n3)cc(C(F)(F)F)c2n1.
What is the InChIKey of 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UBMBHURMKZWLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O/c1-17-14-34-15-18(12-21(25(34)30-17)26(27,28)29)22-13-24(36)35-16-20(4-5-23(35)31-22)33-10-6-19(7-11-33)32-8-2-3-9-32/h4-5,12-16,19H,2-3,6-11H2,1H3.
What are the key properties of 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one?
2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 496.54 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-7-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155531102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).