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

C18H18FN5OS — CID 50992445

IUPAC2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(NC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H18FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)
InChIKeyVKWJBOKTVVRNSK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.76
Rot. Bonds4

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

2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 50992445) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID50992445
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(NC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C18H18FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24)
InChIKeyVKWJBOKTVVRNSK-UHFFFAOYSA-N
XLogP2.76
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[2,3-D]pyridazine-7-Carboxamide
CID 49786973
2-(4-chlorophenyl)-4-[[(3S)-piperidin-1-ium-3-yl]amino]thieno[2,3-d]pyridazine-7-carboxamide
CID 72200341
N-(thiophen-2-ylmethyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 172433377
3-[4-(4-Fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 47089050
N-{1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl}-3-methylthiophene-2-carboxamide
CID 71793984
4-Amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 11572821
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-THIOPHEN-2-YL-ETHYL)AMIDE
CID 16036091
2-(3-Fluorophenyl)-4-(thiophen-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51033883
2-(4-Fluorophenyl)-4-(thiolan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034097
2-(4-Fluorophenyl)-4-(oxolan-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034102
2-(4-Fluorophenyl)-4-(pyrrolidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034309
2-(4-Fluorophenyl)-4-(pyridin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034433

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide (CID 50992445) is 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(NC2CCCNC2)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is VKWJBOKTVVRNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)25)23-24-18(13)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,25)(H,22,24).
What are the key properties of 2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-fluorophenyl)-4-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.76, 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-(piperidin-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 50992445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).