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

C37H37F3N8O2S2 — CID 123482253

IUPAC5-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
SMILESCc1nnc2sc(C(=O)NC3CCC3C3CC3c3c(C(=O)NC4CN(c5ccc(C(F)(F)F)nc5)C4)sc4nnc(C)c(C)c34)c(C3CC3)c2c1C
InChIInChI=1S/C37H37F3N8O2S2/c1-15-17(3)44-46-35-27(15)29(19-5-6-19)31(51-35)34(50)43-25-9-8-22(25)23-11-24(23)30-28-16(2)18(4)45-47-36(28)52-32(30)33(49)42-20-13-48(14-20)21-7-10-26(41-12-21)37(38,39)40/h7,10,12,19-20,22-25H,5-6,8-9,11,13-14H2,1-4H3,(H,42,49)(H,43,50)
InChIKeyXFFCWXXHDAILSK-UHFFFAOYSA-N
MW746.88 g/mol
LogP7.15
Rot. Bonds8

About 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

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 (PubChem CID 123482253) has the molecular formula C37H37F3N8O2S2 and a molecular weight of 746.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID123482253
Molecular FormulaC37H37F3N8O2S2
Molecular Weight746.88 g/mol
Exact Mass746.24
IUPAC Name5-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
SMILESCc1nnc2sc(C(=O)NC3CCC3C3CC3c3c(C(=O)NC4CN(c5ccc(C(F)(F)F)nc5)C4)sc4nnc(C)c(C)c34)c(C3CC3)c2c1C
InChIInChI=1S/C37H37F3N8O2S2/c1-15-17(3)44-46-35-27(15)29(19-5-6-19)31(51-35)34(50)43-25-9-8-22(25)23-11-24(23)30-28-16(2)18(4)45-47-36(28)52-32(30)33(49)42-20-13-48(14-20)21-7-10-26(41-12-21)37(38,39)40/h7,10,12,19-20,22-25H,5-6,8-9,11,13-14H2,1-4H3,(H,42,49)(H,43,50)
InChIKeyXFFCWXXHDAILSK-UHFFFAOYSA-N
XLogP7.15
TPSA125.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.88
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

5-amino-3,4-dimethyl-N-(1-pyridin-3-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 89777179
5-amino-3,4-dimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137646732
5-amino-N-[1-(5-fluoro-3-pyridinyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 137656783
5-amino-N-[1-(2-fluoro-3-pyridinyl)azetidin-3-yl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 137658662
5-amino-3,4-dimethyl-N-[1-[methyl-[6-(trifluoromethyl)-3-pyridinyl]amino]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137636805
4,5-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 117916931
4,6-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 117916968
5-cyclopropyl-3,4-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 117917131
3,4-dimethyl-N-[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 117917135
N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479862
N-[1-[6-(1,1-difluoroethyl)-3-pyridinyl]azetidin-3-yl]-4,5-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 121479871
4,6-dimethyl-N-[1-[6-[[4-methyl-2-[[1-[6-(trifluoromethyl)pyridin-3-yl]azetidin-3-yl]carbamoyl]thieno[2,3-b]pyridin-6-yl]methyl]pyridin-3-yl]azetidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 123229701

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2sc(C(=O)NC3CCC3C3CC3c3c(C(=O)NC4CN(c5ccc(C(F)(F)F)nc5)C4)sc4nnc(C)c(C)c34)c(C3CC3)c2c1C.
What is the InChIKey of 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?
The InChIKey is XFFCWXXHDAILSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N8O2S2/c1-15-17(3)44-46-35-27(15)29(19-5-6-19)31(51-35)34(50)43-25-9-8-22(25)23-11-24(23)30-28-16(2)18(4)45-47-36(28)52-32(30)33(49)42-20-13-48(14-20)21-7-10-26(41-12-21)37(38,39)40/h7,10,12,19-20,22-25H,5-6,8-9,11,13-14H2,1-4H3,(H,42,49)(H,43,50).
What are the key properties of 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?
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 has a molecular weight of 746.88 g/mol, XLogP of 7.15, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123482253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).