N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H28N4O2S — CID 166179880

IUPACN-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOC12CC3CC(C1)C(NC(=O)c1cc(-c4cccs4)nc4c1c(C)nn4C)C(C3)C2
InChIInChI=1S/C24H28N4O2S/c1-13-20-17(9-18(19-5-4-6-31-19)25-22(20)28(2)27-13)23(29)26-21-15-7-14-8-16(21)12-24(10-14,11-15)30-3/h4-6,9,14-16,21H,7-8,10-12H2,1-3H3,(H,26,29)
InChIKeyCJHJMDVJUMKQNP-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.33
Rot. Bonds4

About N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166179880) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166179880
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOC12CC3CC(C1)C(NC(=O)c1cc(-c4cccs4)nc4c1c(C)nn4C)C(C3)C2
InChIInChI=1S/C24H28N4O2S/c1-13-20-17(9-18(19-5-4-6-31-19)25-22(20)28(2)27-13)23(29)26-21-15-7-14-8-16(21)12-24(10-14,11-15)30-3/h4-6,9,14-16,21H,7-8,10-12H2,1-3H3,(H,26,29)
InChIKeyCJHJMDVJUMKQNP-UHFFFAOYSA-N
XLogP4.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bicyclo[2.2.1]heptanyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166211140
1,3-dimethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60616772
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119603149
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119512509
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
N-(1-hydroxy-2-methylpropan-2-yl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110001025
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702259
1,3-dimethyl-N-[3-(methylamino)propyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119432081
2-[(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119348272
N-(3-hydroxybutyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 111428920
N-(4-carbamoyl-3-methylphenyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56518414
1,3-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822456

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 166179880) is N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COC12CC3CC(C1)C(NC(=O)c1cc(-c4cccs4)nc4c1c(C)nn4C)C(C3)C2.
What is the InChIKey of N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CJHJMDVJUMKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-13-20-17(9-18(19-5-4-6-31-19)25-22(20)28(2)27-13)23(29)26-21-15-7-14-8-16(21)12-24(10-14,11-15)30-3/h4-6,9,14-16,21H,7-8,10-12H2,1-3H3,(H,26,29).
What are the key properties of N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-adamantyl)-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166179880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).