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

C26H23FN8O3 — CID 118162709

IUPACN-[4-fluoro-3-[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccc(N6CCOCC6)nc5)cn4n3)c2)o1
InChIInChI=1S/C26H23FN8O3/c1-15-23(38-16(2)30-15)25(36)31-19-4-5-21(27)20(11-19)24-32-26-29-13-18(14-35(26)33-24)17-3-6-22(28-12-17)34-7-9-37-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,31,36)
InChIKeyYFLCTPSABGPJEO-UHFFFAOYSA-N
MW514.52 g/mol
LogP3.69
Rot. Bonds5

About N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 118162709) has the molecular formula C26H23FN8O3 and a molecular weight of 514.52 g/mol. Its IUPAC name is N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID118162709
Molecular FormulaC26H23FN8O3
Molecular Weight514.52 g/mol
Exact Mass514.19
IUPAC NameN-[4-fluoro-3-[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccc(N6CCOCC6)nc5)cn4n3)c2)o1
InChIInChI=1S/C26H23FN8O3/c1-15-23(38-16(2)30-15)25(36)31-19-4-5-21(27)20(11-19)24-32-26-29-13-18(14-35(26)33-24)17-3-6-22(28-12-17)34-7-9-37-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,31,36)
InChIKeyYFLCTPSABGPJEO-UHFFFAOYSA-N
XLogP3.69
TPSA123.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 118162709) is N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3nc4ncc(-c5ccc(N6CCOCC6)nc5)cn4n3)c2)o1.
What is the InChIKey of N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is YFLCTPSABGPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O3/c1-15-23(38-16(2)30-15)25(36)31-19-4-5-21(27)20(11-19)24-32-26-29-13-18(14-35(26)33-24)17-3-6-22(28-12-17)34-7-9-37-10-8-34/h3-6,11-14H,7-10H2,1-2H3,(H,31,36).
What are the key properties of N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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-(6-morpholin-4-yl-3-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 514.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[6-(6-morpholin-4-yl-3-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 118162709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).