(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine

C₂₂H₂₃N₇O — CID 155587723

About (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine

(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine (PubChem CID 155587723) has the molecular formula C₂₂H₂₃N₇O and a molecular weight of 401.47 g/mol. Its IUPAC name is (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine.

Molecular Properties

• Compound Name: (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
• PubChem CID: 155587723
• Molecular Formula: C₂₂H₂₃N₇O
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.20
• IUPAC Name: (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
• SMILES: CN/C=C(\N)c1ccc(CNc2cc(-c3cnc4cc(OC)ccn34)ncn2)cc1
• InChI: InChI=1S/C22H23N7O/c1-24-12-18(23)16-5-3-15(4-6-16)11-25-21-10-19(27-14-28-21)20-13-26-22-9-17(30-2)7-8-29(20)22/h3-10,12-14,24H,11,23H2,1-2H3,(H,25,27,28)/b18-12-
• InChIKey: CPWSLCAJVWVWAY-PDGQHHTCSA-N
• XLogP: 2.89
• TPSA: 102.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?

The IUPAC name of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine (CID 155587723) is (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine.

What is the SMILES notation for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?

The canonical SMILES for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine is CN/C=C(\N)c1ccc(CNc2cc(-c3cnc4cc(OC)ccn34)ncn2)cc1.

What is the InChIKey of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?

The InChIKey is CPWSLCAJVWVWAY-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H23N7O/c1-24-12-18(23)16-5-3-15(4-6-16)11-25-21-10-19(27-14-28-21)20-13-26-22-9-17(30-2)7-8-29(20)22/h3-10,12-14,24H,11,23H2,1-2H3,(H,25,27,28)/b18-12-.

What are the key properties of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?

(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine has a molecular weight of 401.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine is sourced from PubChem (CID 155587723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155587723 — identifiers, structure, computed properties (public domain)

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