3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C22H27N5O2S — CID 155556612

IUPAC3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(N2CCNCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C22H27N5O2S/c1-14-3-6-17-19(23)20(30-22(17)26-14)21(28)25-8-7-15-4-5-16(13-18(15)29-2)27-11-9-24-10-12-27/h3-6,13,24H,7-12,23H2,1-2H3,(H,25,28)
InChIKeyWKFAWMKYOVOUSC-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.58
Rot. Bonds6

About 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155556612) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID155556612
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cc(N2CCNCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N
InChIInChI=1S/C22H27N5O2S/c1-14-3-6-17-19(23)20(30-22(17)26-14)21(28)25-8-7-15-4-5-16(13-18(15)29-2)27-11-9-24-10-12-27/h3-6,13,24H,7-12,23H2,1-2H3,(H,25,28)
InChIKeyWKFAWMKYOVOUSC-UHFFFAOYSA-N
XLogP2.58
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 155556612) is 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COc1cc(N2CCNCC2)ccc1CCNC(=O)c1sc2nc(C)ccc2c1N.
What is the InChIKey of 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WKFAWMKYOVOUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-14-3-6-17-19(23)20(30-22(17)26-14)21(28)25-8-7-15-4-5-16(13-18(15)29-2)27-11-9-24-10-12-27/h3-6,13,24H,7-12,23H2,1-2H3,(H,25,28).
What are the key properties of 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxy-4-piperazin-1-ylphenyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155556612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).