2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde

C25H24FIN6O — CID 163540031

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde (PubChem CID 163540031) has the molecular formula C25H24FIN6O and a molecular weight of 570.41 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde
• PubChem CID: 163540031
• Molecular Formula: C25H24FIN6O
• Molecular Weight: 570.41 g/mol
• Exact Mass: 570.10
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde
• SMILES: CC1CC(C=O)N(C(C)C)c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(I)c21
• InChI: InChI=1S/C25H24FIN6O/c1-14(2)33-17(13-34)11-15(3)20-22(27)29-23(30-25(20)33)21-18-8-6-10-28-24(18)32(31-21)12-16-7-4-5-9-19(16)26/h4-10,13-15,17H,11-12H2,1-3H3
• InChIKey: FAIFUXAXTSKAJT-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 76.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.41
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde (CID 163540031) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde is CC1CC(C=O)N(C(C)C)c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(I)c21.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde?

The InChIKey is FAIFUXAXTSKAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FIN6O/c1-14(2)33-17(13-34)11-15(3)20-22(27)29-23(30-25(20)33)21-18-8-6-10-28-24(18)32(31-21)12-16-7-4-5-9-19(16)26/h4-10,13-15,17H,11-12H2,1-3H3.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde?

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde has a molecular weight of 570.41 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-7-carbaldehyde is sourced from PubChem (CID 163540031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).