6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide

C34H31FN6O3S — CID 176673570

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(N)=O)s2)C(=O)N2CCCC32)o1.c1cnc2c(c1)CCC2
InChIInChI=1S/C26H22FN5O3S.C8H9N/c1-13-30-31-25(35-13)20-16(9-6-14-4-7-15(27)8-5-14)29-23-17-3-2-12-32(17)26(34)22(23)21(20)18-10-11-19(36-18)24(28)33;1-3-7-4-2-6-9-8(7)5-1/h4-5,7-8,10-11,17H,2-3,6,9,12H2,1H3,(H2,28,33);2,4,6H,1,3,5H2
InChIKeyDRNDVZUPPWEWIR-UHFFFAOYSA-N
MW622.73 g/mol
LogP6.05
Rot. Bonds6

About 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide

6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide (PubChem CID 176673570) has the molecular formula C34H31FN6O3S and a molecular weight of 622.73 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide
PubChem CID176673570
Molecular FormulaC34H31FN6O3S
Molecular Weight622.73 g/mol
Exact Mass622.22
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide
SMILESCc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(N)=O)s2)C(=O)N2CCCC32)o1.c1cnc2c(c1)CCC2
InChIInChI=1S/C26H22FN5O3S.C8H9N/c1-13-30-31-25(35-13)20-16(9-6-14-4-7-15(27)8-5-14)29-23-17-3-2-12-32(17)26(34)22(23)21(20)18-10-11-19(36-18)24(28)33;1-3-7-4-2-6-9-8(7)5-1/h4-5,7-8,10-11,17H,2-3,6,9,12H2,1H3,(H2,28,33);2,4,6H,1,3,5H2
InChIKeyDRNDVZUPPWEWIR-UHFFFAOYSA-N
XLogP6.05
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.73
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide (CID 176673570) is 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide is Cc1nnc(-c2c(CCc3ccc(F)cc3)nc3c(c2-c2ccc(C(N)=O)s2)C(=O)N2CCCC32)o1.c1cnc2c(c1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide?
The InChIKey is DRNDVZUPPWEWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O3S.C8H9N/c1-13-30-31-25(35-13)20-16(9-6-14-4-7-15(27)8-5-14)29-23-17-3-2-12-32(17)26(34)22(23)21(20)18-10-11-19(36-18)24(28)33;1-3-7-4-2-6-9-8(7)5-1/h4-5,7-8,10-11,17H,2-3,6,9,12H2,1H3,(H2,28,33);2,4,6H,1,3,5H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide?
6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide has a molecular weight of 622.73 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridine;5-[2-[2-(4-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-oxo-7,8,9,9a-tetrahydropyrido[2,3-a]pyrrolizin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 176673570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).