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

C17H16FN5OS — CID 51034309

IUPAC2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(NC2CCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C17H16FN5OS/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(16(19)24)22-23-17(12)21-11-5-6-20-8-11/h1-4,7,11,20H,5-6,8H2,(H2,19,24)(H,21,23)
InChIKeyWEGVCOXMGRHTKH-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.37
Rot. Bonds4

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

2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 51034309) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID51034309
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(NC2CCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C17H16FN5OS/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(16(19)24)22-23-17(12)21-11-5-6-20-8-11/h1-4,7,11,20H,5-6,8H2,(H2,19,24)(H,21,23)
InChIKeyWEGVCOXMGRHTKH-UHFFFAOYSA-N
XLogP2.37
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.37
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-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 51034309) is 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(NC2CCNC2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is WEGVCOXMGRHTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c18-10-3-1-9(2-4-10)13-7-12-15(25-13)14(16(19)24)22-23-17(12)21-11-5-6-20-8-11/h1-4,7,11,20H,5-6,8H2,(H2,19,24)(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 51034309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).