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

C30H25FN6O3 — CID 54769499

IUPACN-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(C2=NCCO2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O3/c1-39-26-17-21(29-32-14-15-40-29)6-12-25(26)34-30-35-27-13-7-22(18-37(27)36-30)20-4-10-24(11-5-20)33-28(38)16-19-2-8-23(31)9-3-19/h2-13,17-18H,14-16H2,1H3,(H,33,38)(H,34,36)
InChIKeyZCBNNBQRZXZMCQ-UHFFFAOYSA-N
MW536.57 g/mol
LogP5.25
Rot. Bonds8

About N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 54769499) has the molecular formula C30H25FN6O3 and a molecular weight of 536.57 g/mol. Its IUPAC name is N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID54769499
Molecular FormulaC30H25FN6O3
Molecular Weight536.57 g/mol
Exact Mass536.20
IUPAC NameN-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(C2=NCCO2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H25FN6O3/c1-39-26-17-21(29-32-14-15-40-29)6-12-25(26)34-30-35-27-13-7-22(18-37(27)36-30)20-4-10-24(11-5-20)33-28(38)16-19-2-8-23(31)9-3-19/h2-13,17-18H,14-16H2,1H3,(H,33,38)(H,34,36)
InChIKeyZCBNNBQRZXZMCQ-UHFFFAOYSA-N
XLogP5.25
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.57
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 54769499) is N-[4-[2-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methoxyanilino]-[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-methoxyanilino]-[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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is COc1cc(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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ZCBNNBQRZXZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O3/c1-39-26-17-21(29-32-14-15-40-29)6-12-25(26)34-30-35-27-13-7-22(18-37(27)36-30)20-4-10-24(11-5-20)33-28(38)16-19-2-8-23(31)9-3-19/h2-13,17-18H,14-16H2,1H3,(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-methoxyanilino]-[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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 536.57 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 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-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 54769499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).