2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

C32H26N4O2S — CID 18958945

IUPAC2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)N2CCC(=C3c4ccccc4CC(=O)c4sccc43)CC2)cc1
InChIInChI=1S/C32H26N4O2S/c1-20-34-27-19-33-14-10-28(27)36(20)24-8-6-22(7-9-24)32(38)35-15-11-21(12-16-35)30-25-5-3-2-4-23(25)18-29(37)31-26(30)13-17-39-31/h2-10,13-14,17,19H,11-12,15-16,18H2,1H3
InChIKeyGSWZTOJLMQABLR-UHFFFAOYSA-N
MW530.65 g/mol
LogP6.27
Rot. Bonds2

About 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one

2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one (PubChem CID 18958945) has the molecular formula C32H26N4O2S and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one.

Molecular Properties

Compound Name2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
PubChem CID18958945
Molecular FormulaC32H26N4O2S
Molecular Weight530.65 g/mol
Exact Mass530.18
IUPAC Name2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
SMILESCc1nc2cnccc2n1-c1ccc(C(=O)N2CCC(=C3c4ccccc4CC(=O)c4sccc43)CC2)cc1
InChIInChI=1S/C32H26N4O2S/c1-20-34-27-19-33-14-10-28(27)36(20)24-8-6-22(7-9-24)32(38)35-15-11-21(12-16-35)30-25-5-3-2-4-23(25)18-29(37)31-26(30)13-17-39-31/h2-10,13-14,17,19H,11-12,15-16,18H2,1H3
InChIKeyGSWZTOJLMQABLR-UHFFFAOYSA-N
XLogP6.27
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one?
The IUPAC name of 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one (CID 18958945) is 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one.
What is the SMILES notation for 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one?
The canonical SMILES for 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one is Cc1nc2cnccc2n1-c1ccc(C(=O)N2CCC(=C3c4ccccc4CC(=O)c4sccc43)CC2)cc1.
What is the InChIKey of 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one?
The InChIKey is GSWZTOJLMQABLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2S/c1-20-34-27-19-33-14-10-28(27)36(20)24-8-6-22(7-9-24)32(38)35-15-11-21(12-16-35)30-25-5-3-2-4-23(25)18-29(37)31-26(30)13-17-39-31/h2-10,13-14,17,19H,11-12,15-16,18H2,1H3.
What are the key properties of 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one?
2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one has a molecular weight of 530.65 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)benzoyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one is sourced from PubChem (CID 18958945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).