5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide

C107H100F2N20O10S3 — CID 161090826

IUPAC5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cnc(C)nc5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc6c5C=CC6)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(OC)nc4)nc4ccccc43)C2)C1
InChIInChI=1S/C30H26FN5O2S.C27H26N6O2S.C26H23FN4O3S.C24H25N5O3/c1-2-26(37)35-12-11-30(17-35)13-19(14-30)36-27-22(31)7-4-8-23(27)33-29(36)34-28(38)25-10-9-24(39-25)21-16-32-15-18-5-3-6-20(18)21;1-3-24(34)32-11-10-27(16-32)12-19(13-27)33-21-7-5-4-6-20(21)30-26(33)31-25(35)23-9-8-22(36-23)18-14-28-17(2)29-15-18;1-2-22(32)30-11-10-26(15-30)13-16(14-26)31-23-17(27)5-3-6-18(23)28-25(31)29-24(33)21-9-8-20(35-21)19-7-4-12-34-19;1-3-21(30)28-11-10-24(15-28)12-17(13-24)29-19-7-5-4-6-18(19)26-23(29)27-22(31)16-8-9-20(32-2)25-14-16/h2-4,6-10,15-16,19H,1,5,11-14,17H2,(H,33,34,38);3-9,14-15,19H,1,10-13,16H2,2H3,(H,30,31,35);2-9,12,16H,1,10-11,13-15H2,(H,28,29,33);3-9,14,17H,1,10-13,15H2,2H3,(H,26,27,31)
InChIKeyUHDOTWQMIODNTL-UHFFFAOYSA-N
MW1960.30 g/mol
LogP19.64
Rot. Bonds20

About 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide

5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 161090826) has the molecular formula C107H100F2N20O10S3 and a molecular weight of 1960.30 g/mol. Its IUPAC name is 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID161090826
Molecular FormulaC107H100F2N20O10S3
Molecular Weight1960.30 g/mol
Exact Mass1958.71
IUPAC Name5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESC=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cnc(C)nc5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc6c5C=CC6)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(OC)nc4)nc4ccccc43)C2)C1
InChIInChI=1S/C30H26FN5O2S.C27H26N6O2S.C26H23FN4O3S.C24H25N5O3/c1-2-26(37)35-12-11-30(17-35)13-19(14-30)36-27-22(31)7-4-8-23(27)33-29(36)34-28(38)25-10-9-24(39-25)21-16-32-15-18-5-3-6-20(18)21;1-3-24(34)32-11-10-27(16-32)12-19(13-27)33-21-7-5-4-6-20(21)30-26(33)31-25(35)23-9-8-22(36-23)18-14-28-17(2)29-15-18;1-2-22(32)30-11-10-26(15-30)13-16(14-26)31-23-17(27)5-3-6-18(23)28-25(31)29-24(33)21-9-8-20(35-21)19-7-4-12-34-19;1-3-21(30)28-11-10-24(15-28)12-17(13-24)29-19-7-5-4-6-18(19)26-23(29)27-22(31)16-8-9-20(32-2)25-14-16/h2-4,6-10,15-16,19H,1,5,11-14,17H2,(H,33,34,38);3-9,14-15,19H,1,10-13,16H2,2H3,(H,30,31,35);2-9,12,16H,1,10-11,13-15H2,(H,28,29,33);3-9,14,17H,1,10-13,15H2,2H3,(H,26,27,31)
InChIKeyUHDOTWQMIODNTL-UHFFFAOYSA-N
XLogP19.64
TPSA342.85 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001960.30
LogP ≤ 519.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 161090826) is 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cnc(C)nc5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc6c5C=CC6)s4)nc4cccc(F)c43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(OC)nc4)nc4ccccc43)C2)C1.
What is the InChIKey of 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is UHDOTWQMIODNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O2S.C27H26N6O2S.C26H23FN4O3S.C24H25N5O3/c1-2-26(37)35-12-11-30(17-35)13-19(14-30)36-27-22(31)7-4-8-23(27)33-29(36)34-28(38)25-10-9-24(39-25)21-16-32-15-18-5-3-6-20(18)21;1-3-24(34)32-11-10-27(16-32)12-19(13-27)33-21-7-5-4-6-20(21)30-26(33)31-25(35)23-9-8-22(36-23)18-14-28-17(2)29-15-18;1-2-22(32)30-11-10-26(15-30)13-16(14-26)31-23-17(27)5-3-6-18(23)28-25(31)29-24(33)21-9-8-20(35-21)19-7-4-12-34-19;1-3-21(30)28-11-10-24(15-28)12-17(13-24)29-19-7-5-4-6-18(19)26-23(29)27-22(31)16-8-9-20(32-2)25-14-16/h2-4,6-10,15-16,19H,1,5,11-14,17H2,(H,33,34,38);3-9,14-15,19H,1,10-13,16H2,2H3,(H,30,31,35);2-9,12,16H,1,10-11,13-15H2,(H,28,29,33);3-9,14,17H,1,10-13,15H2,2H3,(H,26,27,31).
What are the key properties of 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?
5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 1960.30 g/mol, XLogP of 19.64, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-cyclopenta[c]pyridin-4-yl)-N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[7-fluoro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;6-methoxy-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]pyridine-3-carboxamide;5-(2-methylpyrimidin-5-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161090826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).