4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine

C20H17N5S — CID 110170250

IUPAC4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCc1ccc(-c2ccc(-c3nnc(-n4ccnc4)c4c3CCC4)s2)nc1
InChIInChI=1S/C20H17N5S/c1-13-5-6-16(22-11-13)17-7-8-18(26-17)19-14-3-2-4-15(14)20(24-23-19)25-10-9-21-12-25/h5-12H,2-4H2,1H3
InChIKeyVOCVNFIIESKTJH-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.25
Rot. Bonds3

About 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine

4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine (PubChem CID 110170250) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
PubChem CID110170250
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
SMILESCc1ccc(-c2ccc(-c3nnc(-n4ccnc4)c4c3CCC4)s2)nc1
InChIInChI=1S/C20H17N5S/c1-13-5-6-16(22-11-13)17-7-8-18(26-17)19-14-3-2-4-15(14)20(24-23-19)25-10-9-21-12-25/h5-12H,2-4H2,1H3
InChIKeyVOCVNFIIESKTJH-UHFFFAOYSA-N
XLogP4.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The IUPAC name of 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine (CID 110170250) is 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine.
What is the SMILES notation for 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The canonical SMILES for 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine is Cc1ccc(-c2ccc(-c3nnc(-n4ccnc4)c4c3CCC4)s2)nc1.
What is the InChIKey of 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
The InChIKey is VOCVNFIIESKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c1-13-5-6-16(22-11-13)17-7-8-18(26-17)19-14-3-2-4-15(14)20(24-23-19)25-10-9-21-12-25/h5-12H,2-4H2,1H3.
What are the key properties of 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine?
4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine has a molecular weight of 359.46 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine is sourced from PubChem (CID 110170250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).