5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

C20H16FN7O — CID 174695552

About 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 174695552) has the molecular formula C20H16FN7O and a molecular weight of 389.39 g/mol. Its IUPAC name is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

• Compound Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
• PubChem CID: 174695552
• Molecular Formula: C20H16FN7O
• Molecular Weight: 389.39 g/mol
• Exact Mass: 389.14
• IUPAC Name: 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
• SMILES: NC1c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2NC1C=O
• InChI: InChI=1S/C20H16FN7O/c21-14-6-2-1-4-11(14)9-28-20-12(5-3-7-23-20)17(27-28)19-24-8-13-16(22)15(10-29)25-18(13)26-19/h1-8,10,15-16H,9,22H2,(H,24,25,26)
• InChIKey: YJBOBNOSSKVOCK-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.39
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?

The IUPAC name of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde (CID 174695552) is 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde.

What is the SMILES notation for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?

The canonical SMILES for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde is NC1c2cnc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2NC1C=O.

What is the InChIKey of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?

The InChIKey is YJBOBNOSSKVOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O/c21-14-6-2-1-4-11(14)9-28-20-12(5-3-7-23-20)17(27-28)19-24-8-13-16(22)15(10-29)25-18(13)26-19/h1-8,10,15-16H,9,22H2,(H,24,25,26).

What are the key properties of 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?

5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 389.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 174695552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).