6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide

C63H49F3N20O4 — CID 134453065

IUPAC6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCNc1cncc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(Cc6cccc(-c7nn(C)cc7NC(=O)c7cccc(-c8cncc(OCC(F)(F)F)c8)n7)n6)cc5NC(=O)c5cccc(-c6cncc(N)c6)n5)nc4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C63H49F3N20O4/c1-68-43-22-39(26-70-29-43)46-12-7-16-53(76-46)62(89)79-55-34-85(82-57(55)48-10-3-4-20-72-48)31-37-18-19-49(73-24-37)58-56(80-61(88)52-15-6-11-45(75-52)38-21-41(67)28-69-25-38)35-86(83-58)32-42-9-5-14-50(74-42)59-54(33-84(2)81-59)78-60(87)51-17-8-13-47(77-51)40-23-44(30-71-27-40)90-36-63(64,65)66/h3-30,33-35,68H,31-32,36,67H2,1-2H3,(H,78,87)(H,79,89)(H,80,88)
InChIKeyKUQKGOOLAZIMIE-UHFFFAOYSA-N
MW1207.21 g/mol
LogP9.79
Rot. Bonds19

About 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide

6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 134453065) has the molecular formula C63H49F3N20O4 and a molecular weight of 1207.21 g/mol. Its IUPAC name is 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID134453065
Molecular FormulaC63H49F3N20O4
Molecular Weight1207.21 g/mol
Exact Mass1206.42
IUPAC Name6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
SMILESCNc1cncc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(Cc6cccc(-c7nn(C)cc7NC(=O)c7cccc(-c8cncc(OCC(F)(F)F)c8)n7)n6)cc5NC(=O)c5cccc(-c6cncc(N)c6)n5)nc4)nc3-c3ccccn3)n2)c1
InChIInChI=1S/C63H49F3N20O4/c1-68-43-22-39(26-70-29-43)46-12-7-16-53(76-46)62(89)79-55-34-85(82-57(55)48-10-3-4-20-72-48)31-37-18-19-49(73-24-37)58-56(80-61(88)52-15-6-11-45(75-52)38-21-41(67)28-69-25-38)35-86(83-58)32-42-9-5-14-50(74-42)59-54(33-84(2)81-59)78-60(87)51-17-8-13-47(77-51)40-23-44(30-71-27-40)90-36-63(64,65)66/h3-30,33-35,68H,31-32,36,67H2,1-2H3,(H,78,87)(H,79,89)(H,80,88)
InChIKeyKUQKGOOLAZIMIE-UHFFFAOYSA-N
XLogP9.79
TPSA304.05 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001207.21
LogP ≤ 59.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide (CID 134453065) is 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide is CNc1cncc(-c2cccc(C(=O)Nc3cn(Cc4ccc(-c5nn(Cc6cccc(-c7nn(C)cc7NC(=O)c7cccc(-c8cncc(OCC(F)(F)F)c8)n7)n6)cc5NC(=O)c5cccc(-c6cncc(N)c6)n5)nc4)nc3-c3ccccn3)n2)c1.
What is the InChIKey of 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is KUQKGOOLAZIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49F3N20O4/c1-68-43-22-39(26-70-29-43)46-12-7-16-53(76-46)62(89)79-55-34-85(82-57(55)48-10-3-4-20-72-48)31-37-18-19-49(73-24-37)58-56(80-61(88)52-15-6-11-45(75-52)38-21-41(67)28-69-25-38)35-86(83-58)32-42-9-5-14-50(74-42)59-54(33-84(2)81-59)78-60(87)51-17-8-13-47(77-51)40-23-44(30-71-27-40)90-36-63(64,65)66/h3-30,33-35,68H,31-32,36,67H2,1-2H3,(H,78,87)(H,79,89)(H,80,88).
What are the key properties of 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide?
6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 1207.21 g/mol, XLogP of 9.79, 19 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-3-pyridinyl)-N-[3-[5-[[4-[[6-[5-(methylamino)-3-pyridinyl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-3-yl]-2-pyridinyl]methyl]pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134453065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).