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

C27H20FN9O — CID 121258658

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

N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (PubChem CID 121258658) has the molecular formula C27H20FN9O and a molecular weight of 505.52 g/mol. Its IUPAC name is N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 121258658
• Molecular Formula: C27H20FN9O
• Molecular Weight: 505.52 g/mol
• Exact Mass: 505.18
• IUPAC Name: N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
• SMILES: Nn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)C5CC5)c4)cc23)nc2c(-c3ccccc3F)ccnc21
• InChI: InChI=1S/C27H20FN9O/c28-21-4-2-1-3-18(21)19-7-8-31-25-22(19)34-26(37(25)29)23-20-10-16(12-32-24(20)36-35-23)15-9-17(13-30-11-15)33-27(38)14-5-6-14/h1-4,7-14H,5-6,29H2,(H,33,38)(H,32,35,36)
• InChIKey: OENQUMMEVLCMFR-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 140.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.52
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide (CID 121258658) is N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is Nn1c(-c2[nH]nc3ncc(-c4cncc(NC(=O)C5CC5)c4)cc23)nc2c(-c3ccccc3F)ccnc21.

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

The InChIKey is OENQUMMEVLCMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN9O/c28-21-4-2-1-3-18(21)19-7-8-31-25-22(19)34-26(37(25)29)23-20-10-16(12-32-24(20)36-35-23)15-9-17(13-30-11-15)33-27(38)14-5-6-14/h1-4,7-14H,5-6,29H2,(H,33,38)(H,32,35,36).

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

N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide has a molecular weight of 505.52 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[3-amino-7-(2-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 121258658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).