4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C37H33F3N8O2S2 — CID 123229701

IUPAC4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cc5cc(C)c6cc(C(=O)NC7CN(c8ccc(C(F)(F)F)nc8)C7)sc6n5)nc4)C3)sc2n1
InChIInChI=1S/C37H33F3N8O2S2/c1-19-8-21(3)43-35-28(19)11-30(51-35)33(49)44-24-15-47(16-24)26-5-4-22(41-13-26)10-23-9-20(2)29-12-31(52-36(29)46-23)34(50)45-25-17-48(18-25)27-6-7-32(42-14-27)37(38,39)40/h4-9,11-14,24-25H,10,15-18H2,1-3H3,(H,44,49)(H,45,50)
InChIKeySYDALBCUNANYAT-UHFFFAOYSA-N
MW742.85 g/mol
LogP6.47
Rot. Bonds8

About 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 123229701) has the molecular formula C37H33F3N8O2S2 and a molecular weight of 742.85 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID123229701
Molecular FormulaC37H33F3N8O2S2
Molecular Weight742.85 g/mol
Exact Mass742.21
IUPAC Name4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cc5cc(C)c6cc(C(=O)NC7CN(c8ccc(C(F)(F)F)nc8)C7)sc6n5)nc4)C3)sc2n1
InChIInChI=1S/C37H33F3N8O2S2/c1-19-8-21(3)43-35-28(19)11-30(51-35)33(49)44-24-15-47(16-24)26-5-4-22(41-13-26)10-23-9-20(2)29-12-31(52-36(29)46-23)34(50)45-25-17-48(18-25)27-6-7-32(42-14-27)37(38,39)40/h4-9,11-14,24-25H,10,15-18H2,1-3H3,(H,44,49)(H,45,50)
InChIKeySYDALBCUNANYAT-UHFFFAOYSA-N
XLogP6.47
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.85
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 176514722
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]thieno[3,2-c]pyridine-6-carboxamide
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CID 49802448
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N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-2-[(2,2,2-trifluoroacetyl)amino]thieno[3,2-c]pyridine-6-carboxamide
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CID 117916931
4,6-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 117916968
3,4-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
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5-cyclopropyl-N-[2-[2-[3,4-dimethyl-6-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-c]pyridazin-5-yl]cyclopropyl]cyclobutyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 123482253

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 123229701) is 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2cc(C(=O)NC3CN(c4ccc(Cc5cc(C)c6cc(C(=O)NC7CN(c8ccc(C(F)(F)F)nc8)C7)sc6n5)nc4)C3)sc2n1.
What is the InChIKey of 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SYDALBCUNANYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33F3N8O2S2/c1-19-8-21(3)43-35-28(19)11-30(51-35)33(49)44-24-15-47(16-24)26-5-4-22(41-13-26)10-23-9-20(2)29-12-31(52-36(29)46-23)34(50)45-25-17-48(18-25)27-6-7-32(42-14-27)37(38,39)40/h4-9,11-14,24-25H,10,15-18H2,1-3H3,(H,44,49)(H,45,50).
What are the key properties of 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 742.85 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]-3-pyridinyl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 123229701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).