N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

C34H35FN6O3 — CID 54770359

IUPACN-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C34H35FN6O3/c1-3-43-31-21-29(44-28-16-18-40(2)19-17-28)13-14-30(31)37-34-38-32-15-8-25(22-41(32)39-34)24-6-11-27(12-7-24)36-33(42)20-23-4-9-26(35)10-5-23/h4-15,21-22,28H,3,16-20H2,1-2H3,(H,36,42)(H,37,39)
InChIKeyKTNAMNNFSJPESC-UHFFFAOYSA-N
MW594.69 g/mol
LogP6.33
Rot. Bonds10

About N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide

N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 54770359) has the molecular formula C34H35FN6O3 and a molecular weight of 594.69 g/mol. Its IUPAC name is N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID54770359
Molecular FormulaC34H35FN6O3
Molecular Weight594.69 g/mol
Exact Mass594.28
IUPAC NameN-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCCOc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C34H35FN6O3/c1-3-43-31-21-29(44-28-16-18-40(2)19-17-28)13-14-30(31)37-34-38-32-15-8-25(22-41(32)39-34)24-6-11-27(12-7-24)36-33(42)20-23-4-9-26(35)10-5-23/h4-15,21-22,28H,3,16-20H2,1-2H3,(H,36,42)(H,37,39)
InChIKeyKTNAMNNFSJPESC-UHFFFAOYSA-N
XLogP6.33
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.69
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 54770359) is N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is CCOc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is KTNAMNNFSJPESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN6O3/c1-3-43-31-21-29(44-28-16-18-40(2)19-17-28)13-14-30(31)37-34-38-32-15-8-25(22-41(32)39-34)24-6-11-27(12-7-24)36-33(42)20-23-4-9-26(35)10-5-23/h4-15,21-22,28H,3,16-20H2,1-2H3,(H,36,42)(H,37,39).
What are the key properties of N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 594.69 g/mol, XLogP of 6.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-ethoxy-4-(1-methylpiperidin-4-yl)oxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 54770359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).