N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide

C23H17F2N3OS — CID 25016855

IUPACN-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2s1
InChIInChI=1S/C23H17F2N3OS/c1-12-2-3-13(23(29)27-16-5-6-16)8-18(12)20-9-14-11-26-28-21(22(14)30-20)17-7-4-15(24)10-19(17)25/h2-4,7-11,16H,5-6H2,1H3,(H,27,29)
InChIKeyLJKCLRJHWDVLKV-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.50
Rot. Bonds4

About N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide

N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide (PubChem CID 25016855) has the molecular formula C23H17F2N3OS and a molecular weight of 421.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
PubChem CID25016855
Molecular FormulaC23H17F2N3OS
Molecular Weight421.47 g/mol
Exact Mass421.11
IUPAC NameN-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2s1
InChIInChI=1S/C23H17F2N3OS/c1-12-2-3-13(23(29)27-16-5-6-16)8-18(12)20-9-14-11-26-28-21(22(14)30-20)17-7-4-15(24)10-19(17)25/h2-4,7-11,16H,5-6H2,1H3,(H,27,29)
InChIKeyLJKCLRJHWDVLKV-UHFFFAOYSA-N
XLogP5.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 68712789
N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide
CID 68559854
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
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3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848989
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3-[1-(4-fluoro-2-methylphenyl)phthalazin-6-yl]-4-methyl-N-(1-methylcyclopropyl)benzamide
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CID 91397175
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393
N-cyclopropyl-4-methyl-3-[2-(piperidin-3-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 25017640
N-cyclopropyl-3-[3-(2-fluorophenyl)triazolo[1,5-a]pyridin-7-yl]-4-methylbenzamide
CID 68579318
N-cyclopropyl-4-methyl-3-(1-methyl-2-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-3-yl)benzamide
CID 66989131
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide (CID 25016855) is N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnnc(-c3ccc(F)cc3F)c2s1.
What is the InChIKey of N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The InChIKey is LJKCLRJHWDVLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3OS/c1-12-2-3-13(23(29)27-16-5-6-16)8-18(12)20-9-14-11-26-28-21(22(14)30-20)17-7-4-15(24)10-19(17)25/h2-4,7-11,16H,5-6H2,1H3,(H,27,29).
What are the key properties of N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide has a molecular weight of 421.47 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 25016855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).