Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

C₂₅H₂₁FN₆O₃ — CID 171799420

About Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate

Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (PubChem CID 171799420) has the molecular formula C₂₅H₂₁FN₆O₃ and a molecular weight of 472.48 g/mol. Its IUPAC name is methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
• PubChem CID: 171799420
• Molecular Formula: C₂₅H₂₁FN₆O₃
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.17
• IUPAC Name: methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
• SMILES: COC(=O)Nc1ccc(-c2cnc3ccc(-c4nn(C)cc4-c4ccc(F)c(OC)c4)cn23)cn1
• InChI: InChI=1S/C25H21FN6O3/c1-31-14-18(15-4-7-19(26)21(10-15)34-2)24(30-31)17-6-9-23-28-12-20(32(23)13-17)16-5-8-22(27-11-16)29-25(33)35-3/h4-14H,1-3H3,(H,27,29,33)
• InChIKey: VXOGYVTYZNMJKH-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 95.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The IUPAC name of Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate (CID 171799420) is methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate.

What is the SMILES notation for Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The canonical SMILES for Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2cnc3ccc(-c4nn(C)cc4-c4ccc(F)c(OC)c4)cn23)cn1.

What is the InChIKey of Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

The InChIKey is VXOGYVTYZNMJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3/c1-31-14-18(15-4-7-19(26)21(10-15)34-2)24(30-31)17-6-9-23-28-12-20(32(23)13-17)16-5-8-22(27-11-16)29-25(33)35-3/h4-14H,1-3H3,(H,27,29,33).

What are the key properties of Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate?

Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate has a molecular weight of 472.48 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 171799420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171799420 — identifiers, structure, computed properties (public domain)

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