5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine

C55H45F4IN12O2 — CID 158067060

About 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 158067060) has the molecular formula C55H45F4IN12O2 and a molecular weight of 1108.94 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

• Compound Name: 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
• PubChem CID: 158067060
• Molecular Formula: C55H45F4IN12O2
• Molecular Weight: 1108.94 g/mol
• Exact Mass: 1108.28
• IUPAC Name: 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine
• SMILES: Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc2[nH]ncc2c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1I
• InChI: InChI=1S/C31H25F2N7O.C24H20F2IN5O/c1-18-30(25-4-2-3-7-34-25)38-27-14-21(32)13-23(33)29(27)31(18)37-26-15-28(40-8-10-41-11-9-40)35-17-22(26)19-5-6-24-20(12-19)16-36-39-24;1-14-23(18-4-2-3-5-28-18)31-20-11-15(25)10-16(26)22(20)24(14)30-19-12-21(29-13-17(19)27)32-6-8-33-9-7-32/h2-7,12-17H,8-11H2,1H3,(H,36,39)(H,35,37,38);2-5,10-13H,6-9H2,1H3,(H,29,30,31)
• InChIKey: FLIXTVUZZNEYOV-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 155.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1108.94
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The IUPAC name of 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 158067060) is 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine.

What is the SMILES notation for 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The canonical SMILES for 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine is Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1ccc2[nH]ncc2c1.Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1I.

What is the InChIKey of 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?

The InChIKey is FLIXTVUZZNEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F2N7O.C24H20F2IN5O/c1-18-30(25-4-2-3-7-34-25)38-27-14-21(32)13-23(33)29(27)31(18)37-26-15-28(40-8-10-41-11-9-40)35-17-22(26)19-5-6-24-20(12-19)16-36-39-24;1-14-23(18-4-2-3-5-28-18)31-20-11-15(25)10-16(26)22(20)24(14)30-19-12-21(29-13-17(19)27)32-6-8-33-9-7-32/h2-7,12-17H,8-11H2,1H3,(H,36,39)(H,35,37,38);2-5,10-13H,6-9H2,1H3,(H,29,30,31).

What are the key properties of 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine?

5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 1108.94 g/mol, XLogP of 11.87, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-difluoro-N-[5-(1H-indazol-5-yl)-2-morpholin-4-yl-4-pyridinyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;5,7-difluoro-N-(5-iodo-2-morpholin-4-yl-4-pyridinyl)-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 158067060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).