[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

C19H17F2N7O — CID 118471382

IUPAC[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESCc1cc(C2CN(C(=O)c3cn4ccccc4n3)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C19H17F2N7O/c1-12-6-15(28-18(24-12)22-11-23-28)13-7-19(20,21)10-27(8-13)17(29)14-9-26-5-3-2-4-16(26)25-14/h2-6,9,11,13H,7-8,10H2,1H3
InChIKeyCBKBCOKPJOLXEE-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.35
Rot. Bonds2

About [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone

[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (PubChem CID 118471382) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
PubChem CID118471382
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
SMILESCc1cc(C2CN(C(=O)c3cn4ccccc4n3)CC(F)(F)C2)n2ncnc2n1
InChIInChI=1S/C19H17F2N7O/c1-12-6-15(28-18(24-12)22-11-23-28)13-7-19(20,21)10-27(8-13)17(29)14-9-26-5-3-2-4-16(26)25-14/h2-6,9,11,13H,7-8,10H2,1H3
InChIKeyCBKBCOKPJOLXEE-UHFFFAOYSA-N
XLogP2.35
TPSA80.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The IUPAC name of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone (CID 118471382) is [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone.
What is the SMILES notation for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The canonical SMILES for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is Cc1cc(C2CN(C(=O)c3cn4ccccc4n3)CC(F)(F)C2)n2ncnc2n1.
What is the InChIKey of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
The InChIKey is CBKBCOKPJOLXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-12-6-15(28-18(24-12)22-11-23-28)13-7-19(20,21)10-27(8-13)17(29)14-9-26-5-3-2-4-16(26)25-14/h2-6,9,11,13H,7-8,10H2,1H3.
What are the key properties of [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone?
[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone has a molecular weight of 397.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone is sourced from PubChem (CID 118471382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).