(Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C35H36ClF3N8O2S — CID 170793523

About (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

(Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 170793523) has the molecular formula C35H36ClF3N8O2S and a molecular weight of 725.24 g/mol. Its IUPAC name is (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

• Compound Name: (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• PubChem CID: 170793523
• Molecular Formula: C35H36ClF3N8O2S
• Molecular Weight: 725.24 g/mol
• Exact Mass: 724.23
• IUPAC Name: (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
• SMILES: COc1nc(N(C)C2CCN(C(=O)/C(F)=C/c3nccs3)C2)c2ccc(-c3c(Cl)c(C)cc4[nH]ncc34)c(F)c2n1.FC1CC2CCCN2C1
• InChI: InChI=1S/C28H24ClF2N7O2S.C7H12FN/c1-14-10-20-18(12-33-36-20)22(23(14)29)16-4-5-17-25(24(16)31)34-28(40-3)35-26(17)37(2)15-6-8-38(13-15)27(39)19(30)11-21-32-7-9-41-21;8-6-4-7-2-1-3-9(7)5-6/h4-5,7,9-12,15H,6,8,13H2,1-3H3,(H,33,36);6-7H,1-5H2/b19-11-
• InChIKey: KKMNDORRYBVOSM-XHFAFUTOSA-N
• XLogP: 6.98
• TPSA: 103.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.24
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The IUPAC name of (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 170793523) is (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

What is the SMILES notation for (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The canonical SMILES for (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is COc1nc(N(C)C2CCN(C(=O)/C(F)=C/c3nccs3)C2)c2ccc(-c3c(Cl)c(C)cc4[nH]ncc34)c(F)c2n1.FC1CC2CCCN2C1.

What is the InChIKey of (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

The InChIKey is KKMNDORRYBVOSM-XHFAFUTOSA-N. The full InChI is InChI=1S/C28H24ClF2N7O2S.C7H12FN/c1-14-10-20-18(12-33-36-20)22(23(14)29)16-4-5-17-25(24(16)31)34-28(40-3)35-26(17)37(2)15-6-8-38(13-15)27(39)19(30)11-21-32-7-9-41-21;8-6-4-7-2-1-3-9(7)5-6/h4-5,7,9-12,15H,6,8,13H2,1-3H3,(H,33,36);6-7H,1-5H2/b19-11-;.

What are the key properties of (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?

(Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 725.24 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[3-[[7-(5-chloro-6-methyl-1H-indazol-4-yl)-8-fluoro-2-methoxyquinazolin-4-yl]-methylamino]pyrrolidin-1-yl]-2-fluoro-3-(1,3-thiazol-2-yl)prop-2-en-1-one;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 170793523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).