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

C23H19ClFN7O2 — CID 162672396

IUPACN-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C)cn4n3)c2)o1.Cl
InChIInChI=1S/C23H18FN7O2.ClH/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20;/h4-11H,1-3H3,(H,28,32);1H
InChIKeyFNKPGUNQQCUUIP-UHFFFAOYSA-N
MW479.90 g/mol
LogP4.58
Rot. Bonds4

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

N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 162672396) has the molecular formula C23H19ClFN7O2 and a molecular weight of 479.90 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID162672396
Molecular FormulaC23H19ClFN7O2
Molecular Weight479.90 g/mol
Exact Mass479.13
IUPAC NameN-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C)cn4n3)c2)o1.Cl
InChIInChI=1S/C23H18FN7O2.ClH/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20;/h4-11H,1-3H3,(H,28,32);1H
InChIKeyFNKPGUNQQCUUIP-UHFFFAOYSA-N
XLogP4.58
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride (CID 162672396) is N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ncccc5C)cn4n3)c2)o1.Cl.
What is the InChIKey of N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is FNKPGUNQQCUUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN7O2.ClH/c1-12-5-4-8-25-19(12)15-10-26-23-29-21(30-31(23)11-15)17-9-16(6-7-18(17)24)28-22(32)20-13(2)27-14(3)33-20;/h4-11H,1-3H3,(H,28,32);1H.
What are the key properties of N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride?
N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 479.90 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(3-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 162672396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).