N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C23H16F3N7O2 — CID 118162655

IUPACN-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C(F)F)cn4n3)c2)o1
InChIInChI=1S/C23H16F3N7O2/c1-11-19(35-12(2)29-11)22(34)30-14-5-6-17(24)16(8-14)21-31-23-28-9-13(10-33(23)32-21)18-15(20(25)26)4-3-7-27-18/h3-10,20H,1-2H3,(H,30,34)
InChIKeySAQPDOGLYJCGJM-UHFFFAOYSA-N
MW479.42 g/mol
LogP4.79
Rot. Bonds5

About N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118162655) has the molecular formula C23H16F3N7O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118162655
Molecular FormulaC23H16F3N7O2
Molecular Weight479.42 g/mol
Exact Mass479.13
IUPAC NameN-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C(F)F)cn4n3)c2)o1
InChIInChI=1S/C23H16F3N7O2/c1-11-19(35-12(2)29-11)22(34)30-14-5-6-17(24)16(8-14)21-31-23-28-9-13(10-33(23)32-21)18-15(20(25)26)4-3-7-27-18/h3-10,20H,1-2H3,(H,30,34)
InChIKeySAQPDOGLYJCGJM-UHFFFAOYSA-N
XLogP4.79
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118162655) is N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C(F)F)cn4n3)c2)o1.
What is the InChIKey of N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is SAQPDOGLYJCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O2/c1-11-19(35-12(2)29-11)22(34)30-14-5-6-17(24)16(8-14)21-31-23-28-9-13(10-33(23)32-21)18-15(20(25)26)4-3-7-27-18/h3-10,20H,1-2H3,(H,30,34).
What are the key properties of N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 479.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[3-(difluoromethyl)-2-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorophenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).