3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

C22H24F3N5OS — CID 155539012

IUPAC3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C22H24F3N5OS/c1-13-2-4-15-18(26)19(32-21(15)29-13)20(31)28-7-6-14-3-5-17(16(12-14)22(23,24)25)30-10-8-27-9-11-30/h2-5,12,27H,6-11,26H2,1H3,(H,28,31)
InChIKeyGMNMMHJWZASYSZ-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.59
Rot. Bonds5

About 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 155539012) has the molecular formula C22H24F3N5OS and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID155539012
Molecular FormulaC22H24F3N5OS
Molecular Weight463.53 g/mol
Exact Mass463.17
IUPAC Name3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C22H24F3N5OS/c1-13-2-4-15-18(26)19(32-21(15)29-13)20(31)28-7-6-14-3-5-17(16(12-14)22(23,24)25)30-10-8-27-9-11-30/h2-5,12,27H,6-11,26H2,1H3,(H,28,31)
InChIKeyGMNMMHJWZASYSZ-UHFFFAOYSA-N
XLogP3.59
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]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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CID 54585405
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 155539012) is 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(C(F)(F)F)c3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GMNMMHJWZASYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5OS/c1-13-2-4-15-18(26)19(32-21(15)29-13)20(31)28-7-6-14-3-5-17(16(12-14)22(23,24)25)30-10-8-27-9-11-30/h2-5,12,27H,6-11,26H2,1H3,(H,28,31).
What are the key properties of 3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[2-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 3.59, 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-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155539012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).