3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide

C23H28N6OS — CID 137480343

IUPAC3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3Cc4ccc(N5CCNCC5)nc4[C@H](C)C3)sc2n1
InChIInChI=1S/C23H28N6OS/c1-13-11-16(12-15-4-6-18(28-20(13)15)29-9-7-25-8-10-29)27-22(30)21-19(24)17-5-3-14(2)26-23(17)31-21/h3-6,13,16,25H,7-12,24H2,1-2H3,(H,27,30)/t13-,16+/m1/s1
InChIKeyLUUUKDJSDDBZAN-CJNGLKHVSA-N
MW436.59 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 137480343) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID137480343
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@@H]3Cc4ccc(N5CCNCC5)nc4[C@H](C)C3)sc2n1
InChIInChI=1S/C23H28N6OS/c1-13-11-16(12-15-4-6-18(28-20(13)15)29-9-7-25-8-10-29)27-22(30)21-19(24)17-5-3-14(2)26-23(17)31-21/h3-6,13,16,25H,7-12,24H2,1-2H3,(H,27,30)/t13-,16+/m1/s1
InChIKeyLUUUKDJSDDBZAN-CJNGLKHVSA-N
XLogP2.84
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 137480343) is 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@@H]3Cc4ccc(N5CCNCC5)nc4[C@H](C)C3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is LUUUKDJSDDBZAN-CJNGLKHVSA-N. The full InChI is InChI=1S/C23H28N6OS/c1-13-11-16(12-15-4-6-18(28-20(13)15)29-9-7-25-8-10-29)27-22(30)21-19(24)17-5-3-14(2)26-23(17)31-21/h3-6,13,16,25H,7-12,24H2,1-2H3,(H,27,30)/t13-,16+/m1/s1.
What are the key properties of 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.59 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 137480343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).