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

C22H28N6O2S — CID 11626353

IUPAC1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCN(O)C4)nc3)cc12
InChIInChI=1S/C22H28N6O2S/c1-15-18-11-19(31-22(18)28(25-15)17-5-3-2-4-6-17)21(29)24-13-16-7-8-20(23-12-16)26-9-10-27(30)14-26/h7-8,11-12,17,30H,2-6,9-10,13-14H2,1H3,(H,24,29)
InChIKeyMGNKLJHEVOHNJO-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.71
Rot. Bonds5

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

1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 11626353) has the molecular formula C22H28N6O2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID11626353
Molecular FormulaC22H28N6O2S
Molecular Weight440.57 g/mol
Exact Mass440.20
IUPAC Name1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCN(O)C4)nc3)cc12
InChIInChI=1S/C22H28N6O2S/c1-15-18-11-19(31-22(18)28(25-15)17-5-3-2-4-6-17)21(29)24-13-16-7-8-20(23-12-16)26-9-10-27(30)14-26/h7-8,11-12,17,30H,2-6,9-10,13-14H2,1H3,(H,24,29)
InChIKeyMGNKLJHEVOHNJO-UHFFFAOYSA-N
XLogP3.71
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclohexyl-3-methyl-N-[[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 11568344
N-[(2S)-2-benzylpyrrolidin-1-yl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 140536552
1-[(2-chlorophenyl)methyl]-3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 16588011
[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
CID 89437723
1-cyclohexyl-N-[2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91472575
N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51116637
5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 176716446
1,3-dimethyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 51313394
1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836143
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 11567045
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 71888414

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 11626353) is 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCCCC2)c2sc(C(=O)NCc3ccc(N4CCN(O)C4)nc3)cc12.
What is the InChIKey of 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MGNKLJHEVOHNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2S/c1-15-18-11-19(31-22(18)28(25-15)17-5-3-2-4-6-17)21(29)24-13-16-7-8-20(23-12-16)26-9-10-27(30)14-26/h7-8,11-12,17,30H,2-6,9-10,13-14H2,1H3,(H,24,29).
What are the key properties of 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[6-(3-hydroxyimidazolidin-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 11626353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).