2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

C32H35ClF3N7OS — CID 170571756

IUPAC2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC=C(N)Sc1c(F)ccc(-c2c(Cl)cc3c(N4CCC5(CCN5)CC4)nc(OC)nc3c2F)c1C#N.FC1CC2CCCN2C1
InChIInChI=1S/C25H23ClF2N6OS.C7H12FN/c1-13(30)36-22-16(12-29)14(3-4-18(22)27)19-17(26)11-15-21(20(19)28)32-24(35-2)33-23(15)34-9-6-25(7-10-34)5-8-31-25;8-6-4-7-2-1-3-9(7)5-6/h3-4,11,31H,1,5-10,30H2,2H3;6-7H,1-5H2
InChIKeyYMESEKLFFLAIIG-UHFFFAOYSA-N
MW658.19 g/mol
LogP6.16
Rot. Bonds5

About 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine

2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (PubChem CID 170571756) has the molecular formula C32H35ClF3N7OS and a molecular weight of 658.19 g/mol. Its IUPAC name is 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
PubChem CID170571756
Molecular FormulaC32H35ClF3N7OS
Molecular Weight658.19 g/mol
Exact Mass657.23
IUPAC Name2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
SMILESC=C(N)Sc1c(F)ccc(-c2c(Cl)cc3c(N4CCC5(CCN5)CC4)nc(OC)nc3c2F)c1C#N.FC1CC2CCCN2C1
InChIInChI=1S/C25H23ClF2N6OS.C7H12FN/c1-13(30)36-22-16(12-29)14(3-4-18(22)27)19-17(26)11-15-21(20(19)28)32-24(35-2)33-23(15)34-9-6-25(7-10-34)5-8-31-25;8-6-4-7-2-1-3-9(7)5-6/h3-4,11,31H,1,5-10,30H2,2H3;6-7H,1-5H2
InChIKeyYMESEKLFFLAIIG-UHFFFAOYSA-N
XLogP6.16
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.19
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[6-chloro-8-fluoro-2-methoxy-4-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 164878384
2-amino-4-[4-(5-azaspiro[2.3]hexan-5-yl)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170768566
6-chloro-7-(4-chloronaphthalen-1-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxyquinazoline;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 166102808
4-[4-(4-acetylpiperazin-1-yl)-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile;ethane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170768205
2-amino-4-(6-chloro-4-cyclobutyloxy-8-fluoro-2-methoxyquinazolin-7-yl)-7-fluoro-1-benzothiophene-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 168995718
4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-7-fluoro-3-methyl-1-benzothiophen-2-amine;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 162743303
2-amino-4-[6-chloro-4-(5-cyclopropyl-1,4-oxazepan-4-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170967503
2-amino-7-fluoro-4-[8-fluoro-2-methoxy-4-thiomorpholin-4-yl-6-(trifluoromethyl)quinazolin-7-yl]-1-benzothiophene-3-carbonitrile;ethane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170767493
[4-[7-(2-amino-7-fluoro-1,3-benzothiazol-4-yl)-6-chloro-8-fluoro-2-methoxyquinazolin-4-yl]-6,6-difluoro-1,4-diazepan-1-yl]-(3-cyclopropylaziridin-2-yl)methanone;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 168995695
tert-butyl 3-[[7-[2-cyano-4-fluoro-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethenylsulfanyl]phenyl]-8-fluoro-2-methoxy-6-(trifluoromethyl)quinazolin-4-yl]-ethylamino]pyrrolidine-1-carboxylate;ethane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 166488849
2-amino-4-[6-chloro-8-fluoro-4-[(4-fluoro-5-methylpyrrolidin-2-yl)methylamino]-2-methoxyquinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile;ethane;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 167467308
2-amino-7-fluoro-4-[8-fluoro-4-(6-hydroxy-1,4-oxazepan-4-yl)-2-methoxy-6-(trifluoromethyl)quinazolin-7-yl]-1-benzothiophene-3-carbonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 170767495

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The IUPAC name of 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine (CID 170571756) is 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine.
What is the SMILES notation for 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The canonical SMILES for 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is C=C(N)Sc1c(F)ccc(-c2c(Cl)cc3c(N4CCC5(CCN5)CC4)nc(OC)nc3c2F)c1C#N.FC1CC2CCCN2C1.
What is the InChIKey of 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
The InChIKey is YMESEKLFFLAIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N6OS.C7H12FN/c1-13(30)36-22-16(12-29)14(3-4-18(22)27)19-17(26)11-15-21(20(19)28)32-24(35-2)33-23(15)34-9-6-25(7-10-34)5-8-31-25;8-6-4-7-2-1-3-9(7)5-6/h3-4,11,31H,1,5-10,30H2,2H3;6-7H,1-5H2.
What are the key properties of 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine?
2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine has a molecular weight of 658.19 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethenylsulfanyl)-6-[6-chloro-4-(1,7-diazaspiro[3.5]nonan-7-yl)-8-fluoro-2-methoxyquinazolin-7-yl]-3-fluorobenzonitrile;2-fluoro-2,3,5,6,7,8-hexahydro-1H-pyrrolizine is sourced from PubChem (CID 170571756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).