2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C28H19F2N9O2 — CID 155472889

IUPAC2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(-c3ncco3)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C28H19F2N9O2/c29-27(30)41-20-2-1-9-32-19(20)14-21-35-25-23(18-7-8-22-33-10-12-38(22)15-18)24(36-28(31)39(25)37-21)16-3-5-17(6-4-16)26-34-11-13-40-26/h1-13,15,27H,14H2,(H2,31,36)
InChIKeyTWEQSGKOXROVBT-UHFFFAOYSA-N
MW551.52 g/mol
LogP4.93
Rot. Bonds7

About 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 155472889) has the molecular formula C28H19F2N9O2 and a molecular weight of 551.52 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID155472889
Molecular FormulaC28H19F2N9O2
Molecular Weight551.52 g/mol
Exact Mass551.16
IUPAC Name2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(-c3ncco3)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3OC(F)F)nn12
InChIInChI=1S/C28H19F2N9O2/c29-27(30)41-20-2-1-9-32-19(20)14-21-35-25-23(18-7-8-22-33-10-12-38(22)15-18)24(36-28(31)39(25)37-21)16-3-5-17(6-4-16)26-34-11-13-40-26/h1-13,15,27H,14H2,(H2,31,36)
InChIKeyTWEQSGKOXROVBT-UHFFFAOYSA-N
XLogP4.93
TPSA134.55 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 155472889) is 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(-c3ncco3)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3OC(F)F)nn12.
What is the InChIKey of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is TWEQSGKOXROVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F2N9O2/c29-27(30)41-20-2-1-9-32-19(20)14-21-35-25-23(18-7-8-22-33-10-12-38(22)15-18)24(36-28(31)39(25)37-21)16-3-5-17(6-4-16)26-34-11-13-40-26/h1-13,15,27H,14H2,(H2,31,36).
What are the key properties of 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 551.52 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethoxy)-2-pyridinyl]methyl]-8-imidazo[1,2-a]pyridin-6-yl-7-[4-(1,3-oxazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 155472889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).