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

C44H28F6N4O4S2 — CID 21234140

IUPAC[4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(-c5ccc(C(=O)c6sc7nc(-c8ccc(OC)cc8)cc(C(F)(F)F)c7c6N)cc5)cc4)sc3n2)cc1
InChIInChI=1S/C44H28F6N4O4S2/c1-57-27-15-11-23(12-16-27)31-19-29(43(45,46)47)33-35(51)39(59-41(33)53-31)37(55)25-7-3-21(4-8-25)22-5-9-26(10-6-22)38(56)40-36(52)34-30(44(48,49)50)20-32(54-42(34)60-40)24-13-17-28(58-2)18-14-24/h3-20H,51-52H2,1-2H3
InChIKeyKQVOYANIQZTYEI-UHFFFAOYSA-N
MW854.85 g/mol
LogP11.59
Rot. Bonds9

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

[4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 21234140) has the molecular formula C44H28F6N4O4S2 and a molecular weight of 854.85 g/mol. Its IUPAC name is [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID21234140
Molecular FormulaC44H28F6N4O4S2
Molecular Weight854.85 g/mol
Exact Mass854.15
IUPAC Name[4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(-c5ccc(C(=O)c6sc7nc(-c8ccc(OC)cc8)cc(C(F)(F)F)c7c6N)cc5)cc4)sc3n2)cc1
InChIInChI=1S/C44H28F6N4O4S2/c1-57-27-15-11-23(12-16-27)31-19-29(43(45,46)47)33-35(51)39(59-41(33)53-31)37(55)25-7-3-21(4-8-25)22-5-9-26(10-6-22)38(56)40-36(52)34-30(44(48,49)50)20-32(54-42(34)60-40)24-13-17-28(58-2)18-14-24/h3-20H,51-52H2,1-2H3
InChIKeyKQVOYANIQZTYEI-UHFFFAOYSA-N
XLogP11.59
TPSA130.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.85
LogP ≤ 511.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine
CID 2345204
2-(3-Methoxybenzoyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-B]pyridin-3-amine
CID 4137685
3-amino-N-(4-fluorophenyl)-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002397
3-Amino-6-(4-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4778721
Ethyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716255
2-Methoxyethyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118716262
Methyl 3-amino-2-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 118717839
3-Amino-N-(4-meo-PH)-6-PH-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1022440
Ethyl 2-[(4-acetylanilino)carbonyl]-3-amino-4-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
CID 990684
[3-Amino-6-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl](4-methoxyphenyl)methanone
CID 1002403

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone (CID 21234140) is [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc(-c5ccc(C(=O)c6sc7nc(-c8ccc(OC)cc8)cc(C(F)(F)F)c7c6N)cc5)cc4)sc3n2)cc1.
What is the InChIKey of [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is KQVOYANIQZTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F6N4O4S2/c1-57-27-15-11-23(12-16-27)31-19-29(43(45,46)47)33-35(51)39(59-41(33)53-31)37(55)25-7-3-21(4-8-25)22-5-9-26(10-6-22)38(56)40-36(52)34-30(44(48,49)50)20-32(54-42(34)60-40)24-13-17-28(58-2)18-14-24/h3-20H,51-52H2,1-2H3.
What are the key properties of [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone?
[4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 854.85 g/mol, XLogP of 11.59, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]phenyl]-[3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 21234140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).