1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid

C21H25N5O2 — CID 126743543

IUPAC1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)nc3)c12
InChIInChI=1S/C21H25N5O2/c1-13-19-16(14-9-10-18(22-12-14)25(2)3)11-17(21(27)28)23-20(19)26(24-13)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,27,28)
InChIKeyISRUYVFMDJCPDR-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.07
Rot. Bonds4

About 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid

1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743543) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743543
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)nc3)c12
InChIInChI=1S/C21H25N5O2/c1-13-19-16(14-9-10-18(22-12-14)25(2)3)11-17(21(27)28)23-20(19)26(24-13)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,27,28)
InChIKeyISRUYVFMDJCPDR-UHFFFAOYSA-N
XLogP4.07
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-4-(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741689
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742945
3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742146
3-cyclobutyl-1-cyclohexyl-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742875
1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742748
3-cyclobutyl-1-cyclohexyl-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742757
1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 140862945
1-[(3R)-1,1-dioxothiolan-3-yl]-4-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 95915989
1-cyclohexyl-3-propan-2-yloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742627
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743543) is 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(C2CCCCC2)c2nc(C(=O)O)cc(-c3ccc(N(C)C)nc3)c12.
What is the InChIKey of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ISRUYVFMDJCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-19-16(14-9-10-18(22-12-14)25(2)3)11-17(21(27)28)23-20(19)26(24-13)15-7-5-4-6-8-15/h9-12,15H,4-8H2,1-3H3,(H,27,28).
What are the key properties of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).