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

C33H31FN6O4 — CID 54769716

IUPAC2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C33H31FN6O4/c1-44-29-19-23(32(43)39-16-14-27(41)15-17-39)6-12-28(29)36-33-37-30-13-7-24(20-40(30)38-33)22-4-10-26(11-5-22)35-31(42)18-21-2-8-25(34)9-3-21/h2-13,19-20,27,41H,14-18H2,1H3,(H,35,42)(H,36,38)
InChIKeyZLGYWICQQTWJNH-UHFFFAOYSA-N
MW594.65 g/mol
LogP5.07
Rot. Bonds8

About 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54769716) has the molecular formula C33H31FN6O4 and a molecular weight of 594.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54769716
Molecular FormulaC33H31FN6O4
Molecular Weight594.65 g/mol
Exact Mass594.24
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCOc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C33H31FN6O4/c1-44-29-19-23(32(43)39-16-14-27(41)15-17-39)6-12-28(29)36-33-37-30-13-7-24(20-40(30)38-33)22-4-10-26(11-5-22)35-31(42)18-21-2-8-25(34)9-3-21/h2-13,19-20,27,41H,14-18H2,1H3,(H,35,42)(H,36,38)
InChIKeyZLGYWICQQTWJNH-UHFFFAOYSA-N
XLogP5.07
TPSA121.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.65
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]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 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54769716) is 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is COc1cc(C(=O)N2CCC(O)CC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is ZLGYWICQQTWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31FN6O4/c1-44-29-19-23(32(43)39-16-14-27(41)15-17-39)6-12-28(29)36-33-37-30-13-7-24(20-40(30)38-33)22-4-10-26(11-5-22)35-31(42)18-21-2-8-25(34)9-3-21/h2-13,19-20,27,41H,14-18H2,1H3,(H,35,42)(H,36,38).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 594.65 g/mol, XLogP of 5.07, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[4-(4-hydroxypiperidine-1-carbonyl)-2-methoxyanilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54769716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).