3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

C23H28ClN5O3S — CID 90645304

IUPAC3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
InChIInChI=1S/C23H28ClN5O3S/c1-14-17-19(25)20(33-23(17)27-22(32-3)18(14)24)21(30)26-8-9-28-10-12-29(13-11-28)15-6-4-5-7-16(15)31-2/h4-7H,8-13,25H2,1-3H3,(H,26,30)
InChIKeyMAPGIJMBSHARKF-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.41
Rot. Bonds7

About 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 90645304) has the molecular formula C23H28ClN5O3S and a molecular weight of 490.03 g/mol. Its IUPAC name is 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID90645304
Molecular FormulaC23H28ClN5O3S
Molecular Weight490.03 g/mol
Exact Mass489.16
IUPAC Name3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
InChIInChI=1S/C23H28ClN5O3S/c1-14-17-19(25)20(33-23(17)27-22(32-3)18(14)24)21(30)26-8-9-28-10-12-29(13-11-28)15-6-4-5-7-16(15)31-2/h4-7H,8-13,25H2,1-3H3,(H,26,30)
InChIKeyMAPGIJMBSHARKF-UHFFFAOYSA-N
XLogP3.41
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide (CID 90645304) is 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1.
What is the InChIKey of 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MAPGIJMBSHARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3S/c1-14-17-19(25)20(33-23(17)27-22(32-3)18(14)24)21(30)26-8-9-28-10-12-29(13-11-28)15-6-4-5-7-16(15)31-2/h4-7H,8-13,25H2,1-3H3,(H,26,30).
What are the key properties of 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 490.03 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-6-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 90645304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).