1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

C22H26N6O2S — CID 11568344

IUPAC1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCNC4=O)nc3)cc12
InChIInChI=1S/C22H26N6O2S/c1-14-17-11-18(31-21(17)28(26-14)16-5-3-2-4-6-16)20(29)25-13-15-7-8-19(24-12-15)27-10-9-23-22(27)30/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,23,30)(H,25,29)
InChIKeyYWBBPYFNEIITQY-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.77
Rot. Bonds5

About 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide

1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 11568344) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID11568344
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCNC4=O)nc3)cc12
InChIInChI=1S/C22H26N6O2S/c1-14-17-11-18(31-21(17)28(26-14)16-5-3-2-4-6-16)20(29)25-13-15-7-8-19(24-12-15)27-10-9-23-22(27)30/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,23,30)(H,25,29)
InChIKeyYWBBPYFNEIITQY-UHFFFAOYSA-N
XLogP3.77
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

Temuterkib
CID 121408882
Asb-16165
CID 25255436
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 228
CID 134540119
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
1-methyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46230614
3-(2-fluorophenyl)-1-methyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231793
1-ethyl-3-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231856
US10100058, Example 36
CID 134539804
US10100058, Example 232
CID 134539755
4-(4-Methylpiperazin-1-YL)-N-(5-(2-thienylacetyl)-1,5-dihydropyrrolo(3,4-C)pyrazol-3-YL)benzamide
CID 11963557

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 11568344) is 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCNC4=O)nc3)cc12.
What is the InChIKey of 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YWBBPYFNEIITQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-14-17-11-18(31-21(17)28(26-14)16-5-3-2-4-6-16)20(29)25-13-15-7-8-19(24-12-15)27-10-9-23-22(27)30/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,23,30)(H,25,29).
What are the key properties of 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 11568344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).