N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C63H64F3N23O4 — CID 167500963

About N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 167500963) has the molecular formula C63H64F3N23O4 and a molecular weight of 1264.36 g/mol. Its IUPAC name is N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 167500963
• Molecular Formula: C63H64F3N23O4
• Molecular Weight: 1264.36 g/mol
• Exact Mass: 1263.55
• IUPAC Name: N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
• SMILES: CCn1cc2c(N3CCNCC3)ncc(C(=O)Nc3cc(F)c4nc(CCc5cn6cc(NC(=O)c7ccc(N8CCNCC8)c8nc(CCc9cn%10c(N%11CCNCC%11)ccc(C(=O)Nc%11cc(F)c%12nc(C)cn%12c%11)c%10n9)nn78)c(OC)c(F)c6n5)cn4c3)c2n1
• InChI: InChI=1S/C63H64F3N23O4/c1-4-87-34-44-53(80-87)43(27-70-55(44)83-23-17-69-18-24-83)62(91)76-41-26-46(65)58-73-37(29-85(58)32-41)5-6-38-30-86-35-47(54(93-3)52(66)60(86)74-38)77-63(92)49-10-9-48(81-19-13-67-14-20-81)59-78-50(79-89(49)59)11-7-39-33-88-51(82-21-15-68-16-22-82)12-8-42(56(88)72-39)61(90)75-40-25-45(64)57-71-36(2)28-84(57)31-40/h8-10,12,25-35,67-69H,4-7,11,13-24H2,1-3H3,(H,75,90)(H,76,91)(H,77,92)
• InChIKey: VSFXIJOJWLRJRK-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 272.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1264.36
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 167500963) is N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is CCn1cc2c(N3CCNCC3)ncc(C(=O)Nc3cc(F)c4nc(CCc5cn6cc(NC(=O)c7ccc(N8CCNCC8)c8nc(CCc9cn%10c(N%11CCNCC%11)ccc(C(=O)Nc%11cc(F)c%12nc(C)cn%12c%11)c%10n9)nn78)c(OC)c(F)c6n5)cn4c3)c2n1.

What is the InChIKey of N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is VSFXIJOJWLRJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64F3N23O4/c1-4-87-34-44-53(80-87)43(27-70-55(44)83-23-17-69-18-24-83)62(91)76-41-26-46(65)58-73-37(29-85(58)32-41)5-6-38-30-86-35-47(54(93-3)52(66)60(86)74-38)77-63(92)49-10-9-48(81-19-13-67-14-20-81)59-78-50(79-89(49)59)11-7-39-33-88-51(82-21-15-68-16-22-82)12-8-42(56(88)72-39)61(90)75-40-25-45(64)57-71-36(2)28-84(57)31-40/h8-10,12,25-35,67-69H,4-7,11,13-24H2,1-3H3,(H,75,90)(H,76,91)(H,77,92).

What are the key properties of N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?

N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 1264.36 g/mol, XLogP of 5.38, 17 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[6-[(2-ethyl-4-piperazin-1-ylpyrazolo[4,3-c]pyridine-7-carbonyl)amino]-8-fluoroimidazo[1,2-a]pyridin-2-yl]ethyl]-8-fluoro-7-methoxyimidazo[1,2-a]pyridin-6-yl]-2-[2-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]ethyl]-8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 167500963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).