2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide

C19H20FN5OS — CID 166790810

IUPAC2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CNC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H20FN5OS/c20-12-5-3-11(4-6-12)16-8-14-15(10-23-13-2-1-7-22-9-13)24-25-17(19(21)26)18(14)27-16/h3-6,8,13,22-23H,1-2,7,9-10H2,(H2,21,26)
InChIKeyMJSTVJVAMBFGOE-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.44
Rot. Bonds5

About 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide

2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 166790810) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID166790810
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(CNC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C19H20FN5OS/c20-12-5-3-11(4-6-12)16-8-14-15(10-23-13-2-1-7-22-9-13)24-25-17(19(21)26)18(14)27-16/h3-6,8,13,22-23H,1-2,7,9-10H2,(H2,21,26)
InChIKeyMJSTVJVAMBFGOE-UHFFFAOYSA-N
XLogP2.44
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide (CID 166790810) is 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(CNC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is MJSTVJVAMBFGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c20-12-5-3-11(4-6-12)16-8-14-15(10-23-13-2-1-7-22-9-13)24-25-17(19(21)26)18(14)27-16/h3-6,8,13,22-23H,1-2,7,9-10H2,(H2,21,26).
What are the key properties of 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(piperidin-3-ylamino)methyl]thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 166790810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).