ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

C30H39N5O4 — CID 126742035

IUPACethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1
InChIInChI=1S/C30H39N5O4/c1-3-39-30(36)25-18-26(34-13-8-20(9-14-34)19-37-2)27-28(22-5-4-6-22)33-35(29(27)32-25)23-7-12-31-24(17-23)21-10-15-38-16-11-21/h7,12,17-18,20-22H,3-6,8-11,13-16,19H2,1-2H3
InChIKeyGSSRMZSLDUZZMM-UHFFFAOYSA-N
MW533.67 g/mol
LogP5.02
Rot. Bonds8

About ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate

ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742035) has the molecular formula C30H39N5O4 and a molecular weight of 533.67 g/mol. Its IUPAC name is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126742035
Molecular FormulaC30H39N5O4
Molecular Weight533.67 g/mol
Exact Mass533.30
IUPAC Nameethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1
InChIInChI=1S/C30H39N5O4/c1-3-39-30(36)25-18-26(34-13-8-20(9-14-34)19-37-2)27-28(22-5-4-6-22)33-35(29(27)32-25)23-7-12-31-24(17-23)21-10-15-38-16-11-21/h7,12,17-18,20-22H,3-6,8-11,13-16,19H2,1-2H3
InChIKeyGSSRMZSLDUZZMM-UHFFFAOYSA-N
XLogP5.02
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.67
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743060
ethyl 3-cyclobutyl-4-[4-[ethyl(propyl)amino]piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 129024141
ethyl 3-cyclobutyl-1-(2-methoxy-4-pyridinyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743604
ethyl 3-cyclobutyl-1-[2-[2-[4-[1-[3-cyclobutyl-6-ethoxycarbonyl-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridin-4-yl]piperidin-4-yl]morpholin-2-yl]-3,6-dihydro-2H-pyran-4-yl]-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 139315095
ethane;ethyl 3-cyclobutyl-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 145290255
ethyl 3-cyclobutyl-1-[(2,4-dimethoxyphenyl)methyl]-4-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742541
3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde
CID 145290437
methyl 3-cyclobutyl-1-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741740
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
methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742570
3-cyclobutyl-N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741984

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of 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) is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1.
What is the InChIKey of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is GSSRMZSLDUZZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O4/c1-3-39-30(36)25-18-26(34-13-8-20(9-14-34)19-37-2)27-28(22-5-4-6-22)33-35(29(27)32-25)23-7-12-31-24(17-23)21-10-15-38-16-11-21/h7,12,17-18,20-22H,3-6,8-11,13-16,19H2,1-2H3.
What are the key properties of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 533.67 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).