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

C24H29FN4O3 — CID 126741387

IUPACmethyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/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/h5-8,13,15-16H,9-12,14H2,1-4H3
InChIKeyAVUVGPPJMVXFSG-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.33
Rot. Bonds6

About methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-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 126741387) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID126741387
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Namemethyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCOCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/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/h5-8,13,15-16H,9-12,14H2,1-4H3
InChIKeyAVUVGPPJMVXFSG-UHFFFAOYSA-N
XLogP4.33
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741387) is 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 methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COCC1CCN(c2cc(C(=O)OC)nc3c2c(C(C)C)nn3-c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is AVUVGPPJMVXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/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/h5-8,13,15-16H,9-12,14H2,1-4H3.
What are the key properties of methyl 1-(4-fluorophenyl)-4-[4-(methoxymethyl)piperidin-1-yl]-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 440.52 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 126741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).