N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C28H23FN10O2 — CID 121258640

About N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 121258640) has the molecular formula C28H23FN10O2 and a molecular weight of 550.56 g/mol. Its IUPAC name is N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• PubChem CID: 121258640
• Molecular Formula: C28H23FN10O2
• Molecular Weight: 550.56 g/mol
• Exact Mass: 550.20
• IUPAC Name: N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
• SMILES: Nn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)N5CCOCC5)c4)cc23)nc2c(-c3cccc(F)c3)cncc21
• InChI: InChI=1S/C28H23FN10O2/c29-19-3-1-2-16(8-19)22-14-32-15-23-24(22)35-27(39(23)30)25-21-10-18(12-33-26(21)37-36-25)17-9-20(13-31-11-17)34-28(40)38-4-6-41-7-5-38/h1-3,8-15H,4-7,30H2,(H,34,40)(H,33,36,37)
• InChIKey: QWHXGOBYUYDJIH-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 152.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.56
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The IUPAC name of N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 121258640) is N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The canonical SMILES for N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is Nn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)N5CCOCC5)c4)cc23)nc2c(-c3cccc(F)c3)cncc21.

What is the InChIKey of N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

The InChIKey is QWHXGOBYUYDJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN10O2/c29-19-3-1-2-16(8-19)22-14-32-15-23-24(22)35-27(39(23)30)25-21-10-18(12-33-26(21)37-36-25)17-9-20(13-31-11-17)34-28(40)38-4-6-41-7-5-38/h1-3,8-15H,4-7,30H2,(H,34,40)(H,33,36,37).

What are the key properties of N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?

N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 550.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[3-amino-7-(3-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 121258640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).