N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide

C53H40F2N14O4 — CID 138721401

About N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide

N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide (PubChem CID 138721401) has the molecular formula C53H40F2N14O4 and a molecular weight of 974.99 g/mol. Its IUPAC name is N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide
• PubChem CID: 138721401
• Molecular Formula: C53H40F2N14O4
• Molecular Weight: 974.99 g/mol
• Exact Mass: 974.33
• IUPAC Name: N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide
• SMILES: Nc1nc2c(F)cccc2c2nc(C(=O)N3CCc4ccc(NC(=O)c5ccc(-c6ccc(F)c7nc(N)n8cc(C(=O)N9CCc%10ccc(CC(=O)Nc%11ccccn%11)cc%10C9)nc8c67)cn5)cc4C3)cn12
• InChI: InChI=1S/C53H40F2N14O4/c54-37-5-3-4-36-45(37)64-52(56)68-26-40(61-47(36)68)50(72)67-19-16-30-9-11-34(22-33(30)25-67)60-49(71)39-14-10-31(23-59-39)35-12-13-38(55)46-44(35)48-62-41(27-69(48)53(57)65-46)51(73)66-18-15-29-8-7-28(20-32(29)24-66)21-43(70)63-42-6-1-2-17-58-42/h1-14,17,20,22-23,26-27H,15-16,18-19,21,24-25H2,(H2,56,64)(H2,57,65)(H,60,71)(H,58,63,70)
• InChIKey: PDOUZTBESBHFRW-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 237.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.99
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide (CID 138721401) is N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide is Nc1nc2c(F)cccc2c2nc(C(=O)N3CCc4ccc(NC(=O)c5ccc(-c6ccc(F)c7nc(N)n8cc(C(=O)N9CCc%10ccc(CC(=O)Nc%11ccccn%11)cc%10C9)nc8c67)cn5)cc4C3)cn12.

What is the InChIKey of N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide?

The InChIKey is PDOUZTBESBHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40F2N14O4/c54-37-5-3-4-36-45(37)64-52(56)68-26-40(61-47(36)68)50(72)67-19-16-30-9-11-34(22-33(30)25-67)60-49(71)39-14-10-31(23-59-39)35-12-13-38(55)46-44(35)48-62-41(27-69(48)53(57)65-46)51(73)66-18-15-29-8-7-28(20-32(29)24-66)21-43(70)63-42-6-1-2-17-58-42/h1-14,17,20,22-23,26-27H,15-16,18-19,21,24-25H2,(H2,56,64)(H2,57,65)(H,60,71)(H,58,63,70).

What are the key properties of N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide?

N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide has a molecular weight of 974.99 g/mol, XLogP of 6.81, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-amino-7-fluoroimidazo[1,2-c]quinazoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-[5-amino-7-fluoro-2-[7-[2-oxo-2-(pyridin-2-ylamino)ethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-c]quinazolin-10-yl]pyridine-2-carboxamide is sourced from PubChem (CID 138721401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).