2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide

C55H46F4N10O7 — CID 122602363

IUPAC2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide
SMILESCOc1cc(Nc2nc3ccc(-c4c(C(=O)NCc5ccc(F)cc5)c(C(=O)NCc5ccc(F)cc5)nc(C(=O)NCc5ccc(F)cc5)c4C(=O)NCc4ccc(F)cc4)cn3n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C55H46F4N10O7/c1-75-43-26-41(19-20-42(43)54(74)68-22-24-76-25-23-68)64-55-65-44-21-10-36(31-69(44)67-55)45-46(50(70)60-27-32-2-11-37(56)12-3-32)48(52(72)62-29-34-6-15-39(58)16-7-34)66-49(53(73)63-30-35-8-17-40(59)18-9-35)47(45)51(71)61-28-33-4-13-38(57)14-5-33/h2-21,26,31H,22-25,27-30H2,1H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,64,67)
InChIKeyYFOQPLNMBMPRIQ-UHFFFAOYSA-N
MW1035.03 g/mol
LogP7.29
Rot. Bonds17

About 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide

2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide (PubChem CID 122602363) has the molecular formula C55H46F4N10O7 and a molecular weight of 1035.03 g/mol. Its IUPAC name is 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide.

Molecular Properties

Compound Name2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide
PubChem CID122602363
Molecular FormulaC55H46F4N10O7
Molecular Weight1035.03 g/mol
Exact Mass1034.35
IUPAC Name2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide
SMILESCOc1cc(Nc2nc3ccc(-c4c(C(=O)NCc5ccc(F)cc5)c(C(=O)NCc5ccc(F)cc5)nc(C(=O)NCc5ccc(F)cc5)c4C(=O)NCc4ccc(F)cc4)cn3n2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C55H46F4N10O7/c1-75-43-26-41(19-20-42(43)54(74)68-22-24-76-25-23-68)64-55-65-44-21-10-36(31-69(44)67-55)45-46(50(70)60-27-32-2-11-37(56)12-3-32)48(52(72)62-29-34-6-15-39(58)16-7-34)66-49(53(73)63-30-35-8-17-40(59)18-9-35)47(45)51(71)61-28-33-4-13-38(57)14-5-33/h2-21,26,31H,22-25,27-30H2,1H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,64,67)
InChIKeyYFOQPLNMBMPRIQ-UHFFFAOYSA-N
XLogP7.29
TPSA210.28 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.03
LogP ≤ 57.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide?
The IUPAC name of 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide (CID 122602363) is 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide.
What is the SMILES notation for 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide?
The canonical SMILES for 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide is COc1cc(Nc2nc3ccc(-c4c(C(=O)NCc5ccc(F)cc5)c(C(=O)NCc5ccc(F)cc5)nc(C(=O)NCc5ccc(F)cc5)c4C(=O)NCc4ccc(F)cc4)cn3n2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide?
The InChIKey is YFOQPLNMBMPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46F4N10O7/c1-75-43-26-41(19-20-42(43)54(74)68-22-24-76-25-23-68)64-55-65-44-21-10-36(31-69(44)67-55)45-46(50(70)60-27-32-2-11-37(56)12-3-32)48(52(72)62-29-34-6-15-39(58)16-7-34)66-49(53(73)63-30-35-8-17-40(59)18-9-35)47(45)51(71)61-28-33-4-13-38(57)14-5-33/h2-21,26,31H,22-25,27-30H2,1H3,(H,60,70)(H,61,71)(H,62,72)(H,63,73)(H,64,67).
What are the key properties of 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide?
2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide has a molecular weight of 1035.03 g/mol, XLogP of 7.29, 17 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,5-N,6-N-tetrakis[(4-fluorophenyl)methyl]-4-[2-[3-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyridine-2,3,5,6-tetracarboxamide is sourced from PubChem (CID 122602363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).