methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C27H31FN4O4 — CID 126741572

About methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741572) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• PubChem CID: 126741572
• Molecular Formula: C27H31FN4O4
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.23
• IUPAC Name: methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1
• InChI: InChI=1S/C27H31FN4O4/c1-16(2)23-22-20(17-11-13-31(14-12-17)26(34)36-27(3,4)5)15-21(25(33)35-6)29-24(22)32(30-23)19-9-7-18(28)8-10-19/h7-11,15-16H,12-14H2,1-6H3
• InChIKey: VPIUCPSGUFKIPL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 86.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The IUPAC name of methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741572) is methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

What is the SMILES notation for methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The canonical SMILES for methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2c(C(C)C)nn(-c3ccc(F)cc3)c2n1.

What is the InChIKey of methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

The InChIKey is VPIUCPSGUFKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-16(2)23-22-20(17-11-13-31(14-12-17)26(34)36-27(3,4)5)15-21(25(33)35-6)29-24(22)32(30-23)19-9-7-18(28)8-10-19/h7-11,15-16H,12-14H2,1-6H3.

What are the key properties of methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?

methyl 1-(4-fluorophenyl)-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 494.57 g/mol, XLogP of 5.49, 4 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-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).