tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate

C37H38FN7O4 — CID 137364685

About tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate

tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate (PubChem CID 137364685) has the molecular formula C37H38FN7O4 and a molecular weight of 663.75 g/mol. Its IUPAC name is tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate
• PubChem CID: 137364685
• Molecular Formula: C37H38FN7O4
• Molecular Weight: 663.75 g/mol
• Exact Mass: 663.30
• IUPAC Name: tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate
• SMILES: CN(C)Cc1cncc(-c2ccc3c(n2)c(-c2cc4c(-c5ccccc5F)cncc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)c1
• InChI: InChI=1S/C37H38FN7O4/c1-36(2,3)48-34(46)44-30(16-25-26(19-40-20-31(25)44)24-11-9-10-12-27(24)38)33-32-29(45(42-33)35(47)49-37(4,5)6)14-13-28(41-32)23-15-22(17-39-18-23)21-43(7)8/h9-20H,21H2,1-8H3
• InChIKey: VAJYBVJWBSLEKF-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 117.26 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	663.75
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate?

The IUPAC name of tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate (CID 137364685) is tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate.

What is the SMILES notation for tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate?

The canonical SMILES for tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate is CN(C)Cc1cncc(-c2ccc3c(n2)c(-c2cc4c(-c5ccccc5F)cncc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)c1.

What is the InChIKey of tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate?

The InChIKey is VAJYBVJWBSLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FN7O4/c1-36(2,3)48-34(46)44-30(16-25-26(19-40-20-31(25)44)24-11-9-10-12-27(24)38)33-32-29(45(42-33)35(47)49-37(4,5)6)14-13-28(41-32)23-15-22(17-39-18-23)21-43(7)8/h9-20H,21H2,1-8H3.

What are the key properties of tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate?

tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate has a molecular weight of 663.75 g/mol, XLogP of 7.94, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 137364685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).