ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

C25H31N5O2 — CID 126741689

IUPACethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N(C)C)nc2)c2c(C3CC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C25H31N5O2/c1-4-32-25(31)20-14-19(17-12-13-21(26-15-17)29(2)3)22-23(16-10-11-16)28-30(24(22)27-20)18-8-6-5-7-9-18/h12-16,18H,4-11H2,1-3H3
InChIKeyBCSCCAPRYFCHBM-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.12
Rot. Bonds6

About ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741689) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741689
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Nameethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(N(C)C)nc2)c2c(C3CC3)nn(C3CCCCC3)c2n1
InChIInChI=1S/C25H31N5O2/c1-4-32-25(31)20-14-19(17-12-13-21(26-15-17)29(2)3)22-23(16-10-11-16)28-30(24(22)27-20)18-8-6-5-7-9-18/h12-16,18H,4-11H2,1-3H3
InChIKeyBCSCCAPRYFCHBM-UHFFFAOYSA-N
XLogP5.12
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743543
ethyl 3-cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741549
3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742146
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-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742875
1-cyclohexyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N-ethylsulfonyl-3-(1-methylazetidin-3-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 151950572
3-cyclobutyl-1-cyclohexyl-4-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742757
ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743190
ethyl 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742176
ethyl 3-cyclobutyl-4-[6-(3-methoxypropylamino)-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741547
ethyl 1-cyclohexyl-4-piperidin-1-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743808
ethyl 4-(4-acetamidophenyl)-3-cyclobutyl-1-(3,5-difluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 158262095

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741689) is ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccc(N(C)C)nc2)c2c(C3CC3)nn(C3CCCCC3)c2n1.
What is the InChIKey of ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is BCSCCAPRYFCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-32-25(31)20-14-19(17-12-13-21(26-15-17)29(2)3)22-23(16-10-11-16)28-30(24(22)27-20)18-8-6-5-7-9-18/h12-16,18H,4-11H2,1-3H3.
What are the key properties of ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 433.56 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).