1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C23H29N5O2S — CID 25255436

IUPAC1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)nc3)cc12
InChIInChI=1S/C23H29N5O2S/c1-15-19-13-20(31-23(19)28(26-15)17-5-3-2-4-6-17)22(30)25-16-7-8-21(24-14-16)27-11-9-18(29)10-12-27/h7-8,13-14,17-18,29H,2-6,9-12H2,1H3,(H,25,30)
InChIKeyNFWMSIMJLJHZPQ-UHFFFAOYSA-N
MW439.59 g/mol
LogP4.52
Rot. Bonds4

About 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 25255436) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID25255436
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC Name1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)nc3)cc12
InChIInChI=1S/C23H29N5O2S/c1-15-19-13-20(31-23(19)28(26-15)17-5-3-2-4-6-17)22(30)25-16-7-8-21(24-14-16)27-11-9-18(29)10-12-27/h7-8,13-14,17-18,29H,2-6,9-12H2,1H3,(H,25,30)
InChIKeyNFWMSIMJLJHZPQ-UHFFFAOYSA-N
XLogP4.52
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10100058, Example 162
CID 134539487
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
[1-(4-Chlorophenyl)-3-methylthieno[2,3-c]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 2997981
[3-(4-Chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309099
3-methyl-1-phenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231858
1-cyclohexyl-3-methyl-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697909
1-cyclohexyl-3-methyl-N-[6-(4-methyl-1,4-diazepane-1-carbonyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697931
1-cyclohexyl-N-[6-(4-hydroxypiperidine-1-carbonyl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57697945
3-methyl-1-(oxan-4-yl)-N-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697958
1-cyclohexyl-3-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57697966

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 25255436) is 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)nc3)cc12.
What is the InChIKey of 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NFWMSIMJLJHZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-15-19-13-20(31-23(19)28(26-15)17-5-3-2-4-6-17)22(30)25-16-7-8-21(24-14-16)27-11-9-18(29)10-12-27/h7-8,13-14,17-18,29H,2-6,9-12H2,1H3,(H,25,30).
What are the key properties of 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 25255436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).