N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

C24H27N5OS — CID 155277594

IUPACN-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2ccc(N3CC4NC5CCC543)cc2)sc2nc(C)ccc12
InChIInChI=1S/C24H27N5OS/c1-14-3-8-17-20(25-2)21(31-23(17)27-14)22(30)26-12-10-15-4-6-16(7-5-15)29-13-19-24(29)11-9-18(24)28-19/h3-8,18-19,25,28H,9-13H2,1-2H3,(H,26,30)
InChIKeyRGKRMKLPHHITNS-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.31
Rot. Bonds6

About N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide

N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155277594) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155277594
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide
SMILESCNc1c(C(=O)NCCc2ccc(N3CC4NC5CCC543)cc2)sc2nc(C)ccc12
InChIInChI=1S/C24H27N5OS/c1-14-3-8-17-20(25-2)21(31-23(17)27-14)22(30)26-12-10-15-4-6-16(7-5-15)29-13-19-24(29)11-9-18(24)28-19/h3-8,18-19,25,28H,9-13H2,1-2H3,(H,26,30)
InChIKeyRGKRMKLPHHITNS-UHFFFAOYSA-N
XLogP3.31
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide (CID 155277594) is N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is CNc1c(C(=O)NCCc2ccc(N3CC4NC5CCC543)cc2)sc2nc(C)ccc12.
What is the InChIKey of N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RGKRMKLPHHITNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-14-3-8-17-20(25-2)21(31-23(17)27-14)22(30)26-12-10-15-4-6-16(7-5-15)29-13-19-24(29)11-9-18(24)28-19/h3-8,18-19,25,28H,9-13H2,1-2H3,(H,26,30).
What are the key properties of N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide?
N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-diazatricyclo[4.2.0.01,4]octan-2-yl)phenyl]ethyl]-6-methyl-3-(methylamino)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155277594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).