4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C48H59ClF2N8O6 — CID 158950311

IUPAC4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.COCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.COCC1CCNCC1
InChIInChI=1S/C24H29FN4O3.C17H15ClFN3O2.C7H15NO/c1-15(2)22-21-20(28-11-9-16(10-12-28)14-31-3)13-19(24(30)32-4)26-23(21)29(27-22)18-7-5-17(25)6-8-18;1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11;1-9-6-7-2-4-8-5-3-7/h5-8,13,15-16H,9-12,14H2,1-4H3;4-9H,1-3H3;7-8H,2-6H2,1H3
InChIKeyJLIKYTABSIGQFY-UHFFFAOYSA-N
MW917.50 g/mol
LogP9.09
Rot. Bonds11

About 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 158950311) has the molecular formula C48H59ClF2N8O6 and a molecular weight of 917.50 g/mol. Its IUPAC name is 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID158950311
Molecular FormulaC48H59ClF2N8O6
Molecular Weight917.50 g/mol
Exact Mass916.42
IUPAC Name4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.COCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.COCC1CCNCC1
InChIInChI=1S/C24H29FN4O3.C17H15ClFN3O2.C7H15NO/c1-15(2)22-21-20(28-11-9-16(10-12-28)14-31-3)13-19(24(30)32-4)26-23(21)29(27-22)18-7-5-17(25)6-8-18;1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11;1-9-6-7-2-4-8-5-3-7/h5-8,13,15-16H,9-12,14H2,1-4H3;4-9H,1-3H3;7-8H,2-6H2,1H3
InChIKeyJLIKYTABSIGQFY-UHFFFAOYSA-N
XLogP9.09
TPSA147.75 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.50
LogP ≤ 59.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

Methyl 2-(4-chlorophenyl)-10-cyclopropyl-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylate
CID 19916097
Methyl 2-(4-chlorophenyl)-10-methyl-8-(trifluoromethyl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine-4-carboxylate
CID 19916289
Ethyl 4-[2-(4-chlorophenyl)hydrazinyl]-6-(3-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxylate
CID 69733290
Methyl 6-[7-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-(cyclopentylamino)pyrimidine-4-carboxylate
CID 86616863
(2,2,2-Trifluoroacetyl) 4-[6-chloro-8-morpholin-4-yl-2-(3-quinolin-2-ylcyclobutyl)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 117728397
Methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741387
Methyl 1-(4-fluorophenyl)-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741430
Methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741444
Ethyl 1-(2-fluoro-4-pyridinyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741480
Methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741491
Methyl 4-[4-(4-cyanopiperidin-1-yl)piperidin-1-yl]-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741499
Methyl 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741537

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 158950311) is 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(Cl)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.COCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.COCC1CCNCC1.
What is the InChIKey of 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is JLIKYTABSIGQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3.C17H15ClFN3O2.C7H15NO/c1-15(2)22-21-20(28-11-9-16(10-12-28)14-31-3)13-19(24(30)32-4)26-23(21)29(27-22)18-7-5-17(25)6-8-18;1-9(2)15-14-12(18)8-13(17(23)24-3)20-16(14)22(21-15)11-6-4-10(19)5-7-11;1-9-6-7-2-4-8-5-3-7/h5-8,13,15-16H,9-12,14H2,1-4H3;4-9H,1-3H3;7-8H,2-6H2,1H3.
What are the key properties of 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 917.50 g/mol, XLogP of 9.09, 11 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)piperidine;methyl 4-chloro-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate;methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 158950311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).