ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C22H29N5O2 — CID 126743190

IUPACethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn2C)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C22H29N5O2/c1-5-29-22(28)17-13-16(18-11-12-23-26(18)4)19-20(14(2)3)25-27(21(19)24-17)15-9-7-6-8-10-15/h11-15H,5-10H2,1-4H3
InChIKeyHCHNGKUUVKVWAQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.64
Rot. Bonds5

About ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126743190) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126743190
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Nameethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2ccnn2C)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C22H29N5O2/c1-5-29-22(28)17-13-16(18-11-12-23-26(18)4)19-20(14(2)3)25-27(21(19)24-17)15-9-7-6-8-10-15/h11-15H,5-10H2,1-4H3
InChIKeyHCHNGKUUVKVWAQ-UHFFFAOYSA-N
XLogP4.64
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclohexyl-4-piperidin-1-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743808
ethyl 1-cyclohexyl-4-(4-methoxypiperidin-1-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743457
ethyl 1-cyclohexyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743225
ethyl 6-(cyclohexylamino)-5-(2-methylpropanimidoyl)-4-(2-methylpyrazol-3-yl)pyridine-2-carboxylate
CID 129033621
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917
ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741689
ethyl 4-[4-(4-cyanopiperidin-4-yl)phenyl]-1-cyclohexyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742176
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742945
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
4-(1-cyclohexyl-6-ethoxycarbonyl-3-propan-2-yloxypyrazolo[5,4-b]pyridin-4-yl)benzoic acid;ethyl 1-cyclohexyl-4-[4-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carbonyl]phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylate
CID 159086929
ethyl 1-(cyclobutylmethyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742392
ethane;ethyl 5-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 145329445

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126743190) is ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2ccnn2C)c2c(C(C)C)nn(C3CCCCC3)c2n1.
What is the InChIKey of ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is HCHNGKUUVKVWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-5-29-22(28)17-13-16(18-11-12-23-26(18)4)19-20(14(2)3)25-27(21(19)24-17)15-9-7-6-8-10-15/h11-15H,5-10H2,1-4H3.
What are the key properties of ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 395.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126743190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).