3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

C20H22ClF6N3O5S — CID 53382481

IUPAC3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20ClN3OS.2C2HF3O2/c1-8-11-13(18)14(22-16(11)19-9(2)12(8)17)15(21)20-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h10H,3-7,18H2,1-2H3,(H,20,21);2*(H,6,7)
InChIKeyGYQGOPAQEIUMQJ-UHFFFAOYSA-N
MW565.92 g/mol
LogP5.48
Rot. Bonds2

About 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)

3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 53382481) has the molecular formula C20H22ClF6N3O5S and a molecular weight of 565.92 g/mol. Its IUPAC name is 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID53382481
Molecular FormulaC20H22ClF6N3O5S
Molecular Weight565.92 g/mol
Exact Mass565.09
IUPAC Name3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESCc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H20ClN3OS.2C2HF3O2/c1-8-11-13(18)14(22-16(11)19-9(2)12(8)17)15(21)20-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h10H,3-7,18H2,1-2H3,(H,20,21);2*(H,6,7)
InChIKeyGYQGOPAQEIUMQJ-UHFFFAOYSA-N
XLogP5.48
TPSA142.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.92
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

3-amino-5-chloro-4,6-dimethyl-N-(oxan-4-yl)thieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382488
3-amino-5-chloro-N-cyclopropyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 53382542
5-chloro-N-cyclobutyl-3,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479860
3-amino-5-chloro-4,6-dimethyl-N-[(2-methyl-4-pyridinyl)methyl]thieno[2,3-b]pyridine-2-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 53382517
3-amino-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 865531
3-amino-5-chloro-N-[(2,3-difluorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 53382501
3-amino-5-chloro-N-cyclopropyl-4-methyl-6-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
CID 11551836
3-amino-N-cyclohexyl-4-(2-hydroxypropyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 70852595
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
3-amino-N-cyclopropyl-4-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778662
5-chloro-N-cyclobutyl-4,6-dimethyl-3-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 121479876

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 53382481) is 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cc1nc2sc(C(=O)NC3CCCCC3)c(N)c2c(C)c1Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GYQGOPAQEIUMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS.2C2HF3O2/c1-8-11-13(18)14(22-16(11)19-9(2)12(8)17)15(21)20-10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h10H,3-7,18H2,1-2H3,(H,20,21);2*(H,6,7).
What are the key properties of 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)?
3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 565.92 g/mol, XLogP of 5.48, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-cyclohexyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 53382481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).