8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H19F2N7O — CID 146490612

IUPAC8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(C2CC2)n1
InChIInChI=1S/C24H19F2N7O/c1-12-9-14(10-18(29-12)13-5-6-13)20-21(23-28-7-8-34-23)31-24(27)33-22(20)30-19(32-33)11-15-16(25)3-2-4-17(15)26/h2-4,7-10,13H,5-6,11H2,1H3,(H2,27,31)
InChIKeyIGVXFKNQGUZYLD-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.48
Rot. Bonds5

About 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490612) has the molecular formula C24H19F2N7O and a molecular weight of 459.46 g/mol. Its IUPAC name is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490612
Molecular FormulaC24H19F2N7O
Molecular Weight459.46 g/mol
Exact Mass459.16
IUPAC Name8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(C2CC2)n1
InChIInChI=1S/C24H19F2N7O/c1-12-9-14(10-18(29-12)13-5-6-13)20-21(23-28-7-8-34-23)31-24(27)33-22(20)30-19(32-33)11-15-16(25)3-2-4-17(15)26/h2-4,7-10,13H,5-6,11H2,1H3,(H2,27,31)
InChIKeyIGVXFKNQGUZYLD-UHFFFAOYSA-N
XLogP4.48
TPSA108.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[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 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490612) is 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cc(-c2c(-c3ncco3)nc(N)n3nc(Cc4c(F)cccc4F)nc23)cc(C2CC2)n1.
What is the InChIKey of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is IGVXFKNQGUZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O/c1-12-9-14(10-18(29-12)13-5-6-13)20-21(23-28-7-8-34-23)31-24(27)33-22(20)30-19(32-33)11-15-16(25)3-2-4-17(15)26/h2-4,7-10,13H,5-6,11H2,1H3,(H2,27,31).
What are the key properties of 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 459.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-6-methyl-4-pyridinyl)-2-[(2,6-difluorophenyl)methyl]-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).