ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate

C26H37N5O3 — CID 129033688

IUPACethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(n1)N(c1cc(C)nc(C)c1)NC2C(C)C
InChIInChI=1S/C26H37N5O3/c1-7-34-26(32)21-14-22(30-10-8-19(9-11-30)15-33-6)23-24(16(2)3)29-31(25(23)28-21)20-12-17(4)27-18(5)13-20/h12-14,16,19,24,29H,7-11,15H2,1-6H3
InChIKeyCXFASFRTXAZQDC-UHFFFAOYSA-N
MW467.61 g/mol
LogP4.49
Rot. Bonds7

About ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate

ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate (PubChem CID 129033688) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
PubChem CID129033688
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Nameethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(n1)N(c1cc(C)nc(C)c1)NC2C(C)C
InChIInChI=1S/C26H37N5O3/c1-7-34-26(32)21-14-22(30-10-8-19(9-11-30)15-33-6)23-24(16(2)3)29-31(25(23)28-21)20-12-17(4)27-18(5)13-20/h12-14,16,19,24,29H,7-11,15H2,1-6H3
InChIKeyCXFASFRTXAZQDC-UHFFFAOYSA-N
XLogP4.49
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-2H-pyrazolo[3,4-b]pyridine-6-carboxylate
CID 126742322
ethyl 1-(cyclobutylmethyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742392
ethyl 6-(cyclobutylmethylamino)-4-[4-(methoxymethyl)piperidin-1-yl]-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129023697
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-(3-methylanilino)-5-(2-methylpropanimidoyl)pyridine-2-carboxylate
CID 129024045
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-6-[(1-methyl-6-oxopyridazin-3-yl)amino]-5-(N-methyl-C-propan-2-ylcarbonimidoyl)pyridine-2-carboxylate
CID 129033606
ethyl 6-[(2-chloro-6-methyl-4-pyridinyl)amino]-5-(cyclobutanecarboximidoyl)-4-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 129024227
ethyl 4-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-methyl-1-phenyl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate
CID 129033824
methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406710
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742035
ethyl 3-cyclobutyl-1-[(2,4-dimethoxyphenyl)methyl]-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742541
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
CID 63977859

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate (CID 129033688) is ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(n1)N(c1cc(C)nc(C)c1)NC2C(C)C.
What is the InChIKey of ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
The InChIKey is CXFASFRTXAZQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-7-34-26(32)21-14-22(30-10-8-19(9-11-30)15-33-6)23-24(16(2)3)29-31(25(23)28-21)20-12-17(4)27-18(5)13-20/h12-14,16,19,24,29H,7-11,15H2,1-6H3.
What are the key properties of ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate?
ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate has a molecular weight of 467.61 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,6-dimethyl-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-yl-2,3-dihydropyrazolo[3,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 129033688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).