N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine

C₂₅H₂₉FN₆O₃ — CID 135157504

About N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine

N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 135157504) has the molecular formula C₂₅H₂₉FN₆O₃ and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
• PubChem CID: 135157504
• Molecular Formula: C₂₅H₂₉FN₆O₃
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.23
• IUPAC Name: N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine
• SMILES: COc1cc(OC)c(F)c(N(CCCOC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1
• InChI: InChI=1S/C25H29FN6O3/c1-16(2)35-10-6-9-32(21-11-18(33-4)12-22(34-5)24(21)26)23-8-7-19-25(30-23)29-20(14-27-19)17-13-28-31(3)15-17/h7-8,11-16H,6,9-10H2,1-5H3
• InChIKey: KULJCPLMWNADEE-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 87.42 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?

The IUPAC name of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine (CID 135157504) is N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine.

What is the SMILES notation for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?

The canonical SMILES for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine is COc1cc(OC)c(F)c(N(CCCOC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1.

What is the InChIKey of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?

The InChIKey is KULJCPLMWNADEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O3/c1-16(2)35-10-6-9-32(21-11-18(33-4)12-22(34-5)24(21)26)23-8-7-19-25(30-23)29-20(14-27-19)17-13-28-31(3)15-17/h7-8,11-16H,6,9-10H2,1-5H3.

What are the key properties of N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine?

N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 480.54 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-propan-2-yloxypropyl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 135157504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135157504 — identifiers, structure, computed properties (public domain)

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