3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C24H29N5OS — CID 155554615

IUPAC3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c4c3CCC4)sc2n1
InChIInChI=1S/C24H29N5OS/c1-15-5-7-19-21(25)22(31-24(19)28-15)23(30)27-10-9-16-6-8-20(18-4-2-3-17(16)18)29-13-11-26-12-14-29/h5-8,26H,2-4,9-14,25H2,1H3,(H,27,30)
InChIKeyYYUFYBCQBQJBKR-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.06
Rot. Bonds5

About 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155554615) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155554615
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c4c3CCC4)sc2n1
InChIInChI=1S/C24H29N5OS/c1-15-5-7-19-21(25)22(31-24(19)28-15)23(30)27-10-9-16-6-8-20(18-4-2-3-17(16)18)29-13-11-26-12-14-29/h5-8,26H,2-4,9-14,25H2,1H3,(H,27,30)
InChIKeyYYUFYBCQBQJBKR-UHFFFAOYSA-N
XLogP3.06
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
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3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
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2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
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6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
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3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
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3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
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3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-amino-N-(2,3-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 741637
3-Amino-N-(2,3-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(B)thieno(3,2-E)pyridine-2-carboxamide
CID 1023420
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 155554615) is 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c4c3CCC4)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YYUFYBCQBQJBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-15-5-7-19-21(25)22(31-24(19)28-15)23(30)27-10-9-16-6-8-20(18-4-2-3-17(16)18)29-13-11-26-12-14-29/h5-8,26H,2-4,9-14,25H2,1H3,(H,27,30).
What are the key properties of 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[2-(7-piperazin-1-yl-2,3-dihydro-1H-inden-4-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155554615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).