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

C23H18FN7O3 — CID 118162707

IUPACN-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cccnc1-c1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)nn2c1
InChIInChI=1S/C23H18FN7O3/c1-12-20(34-13(2)27-12)22(32)28-15-6-7-17(24)16(9-15)21-29-23-26-10-14(11-31(23)30-21)19-18(33-3)5-4-8-25-19/h4-11H,1-3H3,(H,28,32)
InChIKeyKGJBVEXBERFKNV-UHFFFAOYSA-N
MW459.44 g/mol
LogP3.86
Rot. Bonds5

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

N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118162707) has the molecular formula C23H18FN7O3 and a molecular weight of 459.44 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118162707
Molecular FormulaC23H18FN7O3
Molecular Weight459.44 g/mol
Exact Mass459.15
IUPAC NameN-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCOc1cccnc1-c1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)nn2c1
InChIInChI=1S/C23H18FN7O3/c1-12-20(34-13(2)27-12)22(32)28-15-6-7-17(24)16(9-15)21-29-23-26-10-14(11-31(23)30-21)19-18(33-3)5-4-8-25-19/h4-11H,1-3H3,(H,28,32)
InChIKeyKGJBVEXBERFKNV-UHFFFAOYSA-N
XLogP3.86
TPSA120.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118162707) is N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is COc1cccnc1-c1cnc2nc(-c3cc(NC(=O)c4oc(C)nc4C)ccc3F)nn2c1.
What is the InChIKey of N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is KGJBVEXBERFKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O3/c1-12-20(34-13(2)27-12)22(32)28-15-6-7-17(24)16(9-15)21-29-23-26-10-14(11-31(23)30-21)19-18(33-3)5-4-8-25-19/h4-11H,1-3H3,(H,28,32).
What are the key properties of N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(3-methoxy-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 118162707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).