ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C27H37N7O4 — CID 126742253

IUPACethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C27H37N7O4/c1-5-38-26(35)20-16-21(32-10-7-19(8-11-32)17-36-4)23-24(18(2)3)31-34(25(23)29-20)22-6-9-28-27(30-22)33-12-14-37-15-13-33/h6,9,16,18-19H,5,7-8,10-15,17H2,1-4H3
InChIKeyWHNJMUCLXKHWNZ-UHFFFAOYSA-N
MW523.64 g/mol
LogP3.21
Rot. Bonds8

About ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742253) has the molecular formula C27H37N7O4 and a molecular weight of 523.64 g/mol. Its IUPAC name is ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742253
Molecular FormulaC27H37N7O4
Molecular Weight523.64 g/mol
Exact Mass523.29
IUPAC Nameethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)n3)c2n1
InChIInChI=1S/C27H37N7O4/c1-5-38-26(35)20-16-21(32-10-7-19(8-11-32)17-36-4)23-24(18(2)3)31-34(25(23)29-20)22-6-9-28-27(30-22)33-12-14-37-15-13-33/h6,9,16,18-19H,5,7-8,10-15,17H2,1-4H3
InChIKeyWHNJMUCLXKHWNZ-UHFFFAOYSA-N
XLogP3.21
TPSA107.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.64
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-(8-morpholin-4-yl-3-pyridin-3-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-5-carboxylic acid
CID 117728489
Ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 2998819
Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
6-(pyridin-3-yl)-1-[(pyridin-4-yl)methyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16367113
6-[4-(Hydroxymethyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600114
6-[4-(Dimethylamino)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600254
6-(3-Methylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602215
6-(4-Methylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602216
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Ethyl 6-[(2-phenylacetyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732309
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742253) is ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C(C)C)nn(-c3ccnc(N4CCOCC4)n3)c2n1.
What is the InChIKey of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is WHNJMUCLXKHWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O4/c1-5-38-26(35)20-16-21(32-10-7-19(8-11-32)17-36-4)23-24(18(2)3)31-34(25(23)29-20)22-6-9-28-27(30-22)33-12-14-37-15-13-33/h6,9,16,18-19H,5,7-8,10-15,17H2,1-4H3.
What are the key properties of ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 523.64 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-ylpyrimidin-4-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).