2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H22F2N8O — CID 146490655

IUPAC2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(N4CCOCC4)nc(N)n4nc(Cc5c(F)cccc5F)nc34)cn12
InChIInChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30)
InChIKeyQOCNPKMKLAIZQX-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.04
Rot. Bonds4

About 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490655) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490655
Molecular FormulaC24H22F2N8O
Molecular Weight476.49 g/mol
Exact Mass476.19
IUPAC Name2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(N4CCOCC4)nc(N)n4nc(Cc5c(F)cccc5F)nc34)cn12
InChIInChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30)
InChIKeyQOCNPKMKLAIZQX-UHFFFAOYSA-N
XLogP3.04
TPSA98.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490655) is 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(N4CCOCC4)nc(N)n4nc(Cc5c(F)cccc5F)nc34)cn12.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is QOCNPKMKLAIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30).
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 476.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-morpholin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).