6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

C89H59ClF4N18OS — CID 160528647

IUPAC6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.CNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.Cc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S.2C22H16FN5.C20H13FN4O/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14;1-24-15-6-7-17-19(12-15)26-21(16-4-2-3-5-18(16)23)27-22(17)28-11-9-14-13-25-10-8-20(14)28;1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h1-14H;2*2-13,24H,1H3;2-11H,1H3
InChIKeyQVFWYEOORTZCEM-UHFFFAOYSA-N
MW1540.09 g/mol
LogP21.47
Rot. Bonds11

About 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine

6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (PubChem CID 160528647) has the molecular formula C89H59ClF4N18OS and a molecular weight of 1540.09 g/mol. Its IUPAC name is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.

Molecular Properties

Compound Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
PubChem CID160528647
Molecular FormulaC89H59ClF4N18OS
Molecular Weight1540.09 g/mol
Exact Mass1538.45
IUPAC Name6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
SMILESCNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.CNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.Cc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1
InChIInChI=1S/C25H14ClFN4S.2C22H16FN5.C20H13FN4O/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14;1-24-15-6-7-17-19(12-15)26-21(16-4-2-3-5-18(16)23)27-22(17)28-11-9-14-13-25-10-8-20(14)28;1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h1-14H;2*2-13,24H,1H3;2-11H,1H3
InChIKeyQVFWYEOORTZCEM-UHFFFAOYSA-N
XLogP21.47
TPSA211.60 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.09
LogP ≤ 521.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine with MolForge

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Related Compounds

N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
6-[3-[5,7-Bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 154931815
CID 157061310
CID 157061310
4-[3-[3-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157288349
9-[6-[3,6-Bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;8-[4,6-bis[6-(3-pyrido[3,2-b]indol-5-ylphenyl)dibenzothiophen-2-yl]-1,3,5-triazin-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-2,6-diphenylpyrimidine;2,3-dipyridin-2-ylpyrazino[2,3-f][1,10]phenanthroline
CID 157607174
6-benzyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine;6-benzyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine;6-[(2-chlorophenyl)methyl]-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine;6-[(2-chlorophenyl)methyl]-2-pyrimidin-2-ylthieno[2,3-d]pyrimidin-4-amine;6-[(E)-2-(4-fluorophenyl)ethenyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;6-[2-(4-fluorophenyl)ethyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine;2-(5-methylfuran-2-yl)-6-[(E)-2-phenylethenyl]thieno[2,3-d]pyrimidin-4-amine
CID 157647290
3-[4-[2-[9-(4,6-Diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;3-[4-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[2,3-c]pyridine;8-[3-[2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 157777847
8-[3-[9-(4,6-Diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]-[1]benzothiolo[3,2-b]pyridine;3-[4-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;4-[4-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine;8-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole
CID 157814043
4-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]furan-2-yl]-N,N-bis(3-pyridin-2-ylbenzene-2-id-1-yl)pyridin-2-amine;N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]furan-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;tris(platinum(2+))
CID 158002905
2-chloro-7-[5-fluoro-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]-6-thiophen-2-ylpyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-chloro-7-[4-(furan-2-yl)-6-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-(1-methylpyrrol-3-yl)pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]thieno[2,3-d]pyrimidin-4-amine;5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(furan-2-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine
CID 158066048
12-(4,6-Diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,12-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaene;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-oxa-4,7,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-(2,6-dipyridin-2-yl-4-pyridinyl)-15-thia-4,7,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;12-quinazolin-2-yl-15-thia-4,7,12-triazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 158306552
3-chloro-7-[5-fluoro-4-(furan-2-yl)-6-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]methyl]pyrimidin-2-yl]-5H-pyrrolo[2,3-b]pyrazine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-7-(1,3-difluoropropan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-7-(2-methylpropyl)pyrrolo[2,3-d]pyrimidin-4-amine;2-(7H-cyclopenta[b]pyrazin-5-yl)-5-fluoro-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-thiophen-2-ylpyrimidin-4-amine;heptyl (2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-thiophen-2-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylate
CID 158309886

Frequently Asked Questions

What is the IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The IUPAC name of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine (CID 160528647) is 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine.
What is the SMILES notation for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The canonical SMILES for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is CNc1ccc2c(-n3ccc4cnccc43)nc(-c3ccccc3F)nc2c1.CNc1ccc2nc(-c3cccc(F)c3)nc(-n3ccc4cnccc43)c2c1.Cc1ccc(-c2nc3ccccc3c(-n3cnc4cnccc43)c2F)o1.Fc1ccccc1-c1nc(-n2ccc3cnccc32)c2cc(-c3ccc(Cl)s3)ccc2n1.
What is the InChIKey of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
The InChIKey is QVFWYEOORTZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClFN4S.2C22H16FN5.C20H13FN4O/c26-23-8-7-22(32-23)15-5-6-20-18(13-15)25(31-12-10-16-14-28-11-9-21(16)31)30-24(29-20)17-3-1-2-4-19(17)27;1-24-17-5-6-19-18(12-17)22(28-10-8-15-13-25-9-7-20(15)28)27-21(26-19)14-3-2-4-16(23)11-14;1-24-15-6-7-17-19(12-15)26-21(16-4-2-3-5-18(16)23)27-22(17)28-11-9-14-13-25-10-8-20(14)28;1-12-6-7-17(26-12)19-18(21)20(13-4-2-3-5-14(13)24-19)25-11-23-15-10-22-9-8-16(15)25/h1-14H;2*2-13,24H,1H3;2-11H,1H3.
What are the key properties of 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine?
6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine has a molecular weight of 1540.09 g/mol, XLogP of 21.47, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;3-fluoro-4-imidazo[4,5-c]pyridin-1-yl-2-(5-methylfuran-2-yl)quinoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-7-amine;2-(3-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine is sourced from PubChem (CID 160528647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).