[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone

C26H16F6N4O2S2 — CID 3492281

IUPAC[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(C(=O)c4sc5nc(C)cc(C(F)(F)F)c5c4N)cc3)sc2n1
InChIInChI=1S/C26H16F6N4O2S2/c1-9-7-13(25(27,28)29)15-17(33)21(39-23(15)35-9)19(37)11-3-5-12(6-4-11)20(38)22-18(34)16-14(26(30,31)32)8-10(2)36-24(16)40-22/h3-8H,33-34H2,1-2H3
InChIKeyWXGVFXIBOZQYMC-UHFFFAOYSA-N
MW594.56 g/mol
LogP7.19
Rot. Bonds4

About [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone

[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 3492281) has the molecular formula C26H16F6N4O2S2 and a molecular weight of 594.56 g/mol. Its IUPAC name is [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID3492281
Molecular FormulaC26H16F6N4O2S2
Molecular Weight594.56 g/mol
Exact Mass594.06
IUPAC Name[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(C(=O)c4sc5nc(C)cc(C(F)(F)F)c5c4N)cc3)sc2n1
InChIInChI=1S/C26H16F6N4O2S2/c1-9-7-13(25(27,28)29)15-17(33)21(39-23(15)35-9)19(37)11-3-5-12(6-4-11)20(38)22-18(34)16-14(26(30,31)32)8-10(2)36-24(16)40-22/h3-8H,33-34H2,1-2H3
InChIKeyWXGVFXIBOZQYMC-UHFFFAOYSA-N
XLogP7.19
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.56
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (CID 3492281) is [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is Cc1cc(C(F)(F)F)c2c(N)c(C(=O)c3ccc(C(=O)c4sc5nc(C)cc(C(F)(F)F)c5c4N)cc3)sc2n1.
What is the InChIKey of [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is WXGVFXIBOZQYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N4O2S2/c1-9-7-13(25(27,28)29)15-17(33)21(39-23(15)35-9)19(37)11-3-5-12(6-4-11)20(38)22-18(34)16-14(26(30,31)32)8-10(2)36-24(16)40-22/h3-8H,33-34H2,1-2H3.
What are the key properties of [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 594.56 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 3492281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).