5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

C39H39N15O3S3 — CID 161063591

IUPAC5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncn3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12
InChIInChI=1S/C15H15N5OS.C14H14N6OS.C10H10N4OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)17-5-9-3-4-16-6-18-9;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h3-6H,7,16H2,1-2H3,(H,18,21);3-4,6H,5,15H2,1-2H3,(H,17,21);3-5H,1-2,11H2,(H,13,15)
InChIKeyUDSIFWHDNLWJLY-UHFFFAOYSA-N
MW862.04 g/mol
LogP4.99
Rot. Bonds8

About 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide

5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (PubChem CID 161063591) has the molecular formula C39H39N15O3S3 and a molecular weight of 862.04 g/mol. Its IUPAC name is 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
PubChem CID161063591
Molecular FormulaC39H39N15O3S3
Molecular Weight862.04 g/mol
Exact Mass861.25
IUPAC Name5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide
SMILESCc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncn3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12
InChIInChI=1S/C15H15N5OS.C14H14N6OS.C10H10N4OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)17-5-9-3-4-16-6-18-9;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h3-6H,7,16H2,1-2H3,(H,18,21);3-4,6H,5,15H2,1-2H3,(H,17,21);3-5H,1-2,11H2,(H,13,15)
InChIKeyUDSIFWHDNLWJLY-UHFFFAOYSA-N
XLogP4.99
TPSA281.37 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500862.04
LogP ≤ 54.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide with MolForge

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Related Compounds

5-amino-N-[[4-(2-methoxypyrimidin-5-yl)phenyl]methyl]-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 89777468
5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207680
5-amino-3,4-dimethyl-N-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137635723
5-amino-3,4-dimethyl-N-(1-pyrimidin-5-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 137640000
5-amino-3,4-dimethyl-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137641641
5-amino-3,4-dimethyl-N-(1-pyridin-2-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 137641943
5-amino-3,4-dimethyl-N-(1-pyrimidin-4-ylazetidin-3-yl)thieno[2,3-c]pyridazine-6-carboxamide
CID 137650247
5-amino-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)-7-methyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 155521109
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 659974
5-amino-3-[(dimethylamino)methyl]-4-methyl-N-[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 162665002
5-amino-N-[(3R)-1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207703
5-amino-N-[(3S)-1-(5-fluoro-2-pyridinyl)pyrrolidin-3-yl]-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
CID 134207716

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide (CID 161063591) is 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is Cc1nnc2sc(C(=O)NCc3ccccn3)c(N)c2c1C.Cc1nnc2sc(C(=O)NCc3ccncn3)c(N)c2c1C.Nc1c(C(=O)NC2CC2)sc2nnccc12.
What is the InChIKey of 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
The InChIKey is UDSIFWHDNLWJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS.C14H14N6OS.C10H10N4OS/c1-8-9(2)19-20-15-11(8)12(16)13(22-15)14(21)18-7-10-5-3-4-6-17-10;1-7-8(2)19-20-14-10(7)11(15)12(22-14)13(21)17-5-9-3-4-16-6-18-9;11-7-6-3-4-12-14-10(6)16-8(7)9(15)13-5-1-2-5/h3-6H,7,16H2,1-2H3,(H,18,21);3-4,6H,5,15H2,1-2H3,(H,17,21);3-5H,1-2,11H2,(H,13,15).
What are the key properties of 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide?
5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide has a molecular weight of 862.04 g/mol, XLogP of 4.99, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyridin-2-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide;5-amino-3,4-dimethyl-N-(pyrimidin-4-ylmethyl)thieno[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 161063591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).