2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine

C38H32N8S2 — CID 166112311

IUPAC2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine
SMILESCCc1cccc(-n2nc3c(c2-c2cc4cccnc4s2)CC(c2ccc(-n4nc(CC)cc4-c4cc5ccncc5s4)nc2C)C3)n1
InChIInChI=1S/C38H32N8S2/c1-4-26-9-6-10-35(42-26)46-37(33-19-24-8-7-14-40-38(24)48-33)29-16-25(17-30(29)44-46)28-11-12-36(41-22(28)3)45-31(20-27(5-2)43-45)32-18-23-13-15-39-21-34(23)47-32/h6-15,18-21,25H,4-5,16-17H2,1-3H3
InChIKeyZLPCTLUPTORCLZ-UHFFFAOYSA-N
MW664.86 g/mol
LogP8.72
Rot. Bonds7

About 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine

2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine (PubChem CID 166112311) has the molecular formula C38H32N8S2 and a molecular weight of 664.86 g/mol. Its IUPAC name is 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine
PubChem CID166112311
Molecular FormulaC38H32N8S2
Molecular Weight664.86 g/mol
Exact Mass664.22
IUPAC Name2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine
SMILESCCc1cccc(-n2nc3c(c2-c2cc4cccnc4s2)CC(c2ccc(-n4nc(CC)cc4-c4cc5ccncc5s4)nc2C)C3)n1
InChIInChI=1S/C38H32N8S2/c1-4-26-9-6-10-35(42-26)46-37(33-19-24-8-7-14-40-38(24)48-33)29-16-25(17-30(29)44-46)28-11-12-36(41-22(28)3)45-31(20-27(5-2)43-45)32-18-23-13-15-39-21-34(23)47-32/h6-15,18-21,25H,4-5,16-17H2,1-3H3
InChIKeyZLPCTLUPTORCLZ-UHFFFAOYSA-N
XLogP8.72
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.86
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine?
The IUPAC name of 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine (CID 166112311) is 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine.
What is the SMILES notation for 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine?
The canonical SMILES for 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine is CCc1cccc(-n2nc3c(c2-c2cc4cccnc4s2)CC(c2ccc(-n4nc(CC)cc4-c4cc5ccncc5s4)nc2C)C3)n1.
What is the InChIKey of 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine?
The InChIKey is ZLPCTLUPTORCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N8S2/c1-4-26-9-6-10-35(42-26)46-37(33-19-24-8-7-14-40-38(24)48-33)29-16-25(17-30(29)44-46)28-11-12-36(41-22(28)3)45-31(20-27(5-2)43-45)32-18-23-13-15-39-21-34(23)47-32/h6-15,18-21,25H,4-5,16-17H2,1-3H3.
What are the key properties of 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine?
2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine has a molecular weight of 664.86 g/mol, XLogP of 8.72, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-[5-[2-(6-ethyl-2-pyridinyl)-3-thieno[2,3-b]pyridin-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]-6-methyl-2-pyridinyl]pyrazol-5-yl]thieno[2,3-c]pyridine is sourced from PubChem (CID 166112311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).