N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane

C40H48ClF4N11O2 — CID 176946986

About N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane

N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane (PubChem CID 176946986) has the molecular formula C40H48ClF4N11O2 and a molecular weight of 826.34 g/mol. Its IUPAC name is N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane.

Molecular Properties

• Compound Name: N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane
• PubChem CID: 176946986
• Molecular Formula: C40H48ClF4N11O2
• Molecular Weight: 826.34 g/mol
• Exact Mass: 825.36
• IUPAC Name: N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane
• SMILES: C1CC1.CCN(C(=O)n1ccnc1C#N)C1CCN(c2nc(OCC3(CN4CCN(C)CC4)CC3)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)CC1
• InChI: InChI=1S/C37H42ClF4N11O2.C3H6/c1-4-52(35(54)53-12-9-45-27(53)19-43)23-5-10-51(11-6-23)33-24-18-25(38)28(32-29(37(40,41)42)22(2)17-26(44)46-32)30(39)31(24)47-34(48-33)55-21-36(7-8-36)20-50-15-13-49(3)14-16-50;1-2-3-1/h9,12,17-18,23H,4-8,10-11,13-16,20-21H2,1-3H3,(H2,44,46);1-3H2
• InChIKey: ASBULWFPGTXGDL-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 145.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	826.34
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane?

The IUPAC name of N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane (CID 176946986) is N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane.

What is the SMILES notation for N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane?

The canonical SMILES for N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane is C1CC1.CCN(C(=O)n1ccnc1C#N)C1CCN(c2nc(OCC3(CN4CCN(C)CC4)CC3)nc3c(F)c(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)cc23)CC1.

What is the InChIKey of N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane?

The InChIKey is ASBULWFPGTXGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42ClF4N11O2.C3H6/c1-4-52(35(54)53-12-9-45-27(53)19-43)23-5-10-51(11-6-23)33-24-18-25(38)28(32-29(37(40,41)42)22(2)17-26(44)46-32)30(39)31(24)47-34(48-33)55-21-36(7-8-36)20-50-15-13-49(3)14-16-50;1-2-3-1/h9,12,17-18,23H,4-8,10-11,13-16,20-21H2,1-3H3,(H2,44,46);1-3H2.

What are the key properties of N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane?

N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane has a molecular weight of 826.34 g/mol, XLogP of 7.00, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-8-fluoro-2-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methoxy]quinazolin-4-yl]piperidin-4-yl]-2-cyano-N-ethylimidazole-1-carboxamide;cyclopropane is sourced from PubChem (CID 176946986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).