N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

C30H25FN6O2 — CID 54769500

IUPACN-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C2=NCCO2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O2/c1-19-16-22(29-32-14-15-39-29)6-12-26(19)34-30-35-27-13-7-23(18-37(27)36-30)21-4-10-25(11-5-21)33-28(38)17-20-2-8-24(31)9-3-20/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(H,34,36)
InChIKeyCPMWNRFLWQTDNQ-UHFFFAOYSA-N
MW520.57 g/mol
LogP5.55
Rot. Bonds7

About N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 54769500) has the molecular formula C30H25FN6O2 and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID54769500
Molecular FormulaC30H25FN6O2
Molecular Weight520.57 g/mol
Exact Mass520.20
IUPAC NameN-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCc1cc(C2=NCCO2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O2/c1-19-16-22(29-32-14-15-39-29)6-12-26(19)34-30-35-27-13-7-23(18-37(27)36-30)21-4-10-25(11-5-21)33-28(38)17-20-2-8-24(31)9-3-20/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(H,34,36)
InChIKeyCPMWNRFLWQTDNQ-UHFFFAOYSA-N
XLogP5.55
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

N-[4-[2-(2-cyanoanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 53234586
US9555022, Example 02.11
CID 54769271
N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
CID 53234587
US9555022, Example 02.14
CID 54769499
US9555022, Example 02.33
CID 54770358
US9555022, Example 02.39
CID 54770580
US9555022, Example 04.05
CID 54771039
US9555022, Example 04.29
CID 54772175
US9873709, Example 2-264
CID 117950892
WO2022086828, Example 234
CID 166596286
WO2022086828, Example 233
CID 166596553
US9555022, Example 02.03
CID 54772172

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 54769500) is N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is Cc1cc(C2=NCCO2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is CPMWNRFLWQTDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O2/c1-19-16-22(29-32-14-15-39-29)6-12-26(19)34-30-35-27-13-7-23(18-37(27)36-30)21-4-10-25(11-5-21)33-28(38)17-20-2-8-24(31)9-3-20/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(H,34,36).
What are the key properties of N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 520.57 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 54769500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).