6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

C₂₅H₂₅N₇O₃ — CID 155110733

About 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide

6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (PubChem CID 155110733) has the molecular formula C₂₅H₂₅N₇O₃ and a molecular weight of 471.52 g/mol. Its IUPAC name is 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
• PubChem CID: 155110733
• Molecular Formula: C₂₅H₂₅N₇O₃
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.20
• IUPAC Name: 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
• SMILES: CNC(=O)c1cc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)c(=O)n2c1CCC2
• InChI: InChI=1S/C25H25N7O3/c1-25(13-33)12-29-21-15(11-26)8-14(9-17(21)25)18-5-6-28-24(30-18)31-19-10-16(22(34)27-2)20-4-3-7-32(20)23(19)35/h5-6,8-10,29,33H,3-4,7,12-13H2,1-2H3,(H,27,34)(H,28,30,31)
• InChIKey: SNJKGIPRAINBTI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 144.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The IUPAC name of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide (CID 155110733) is 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide.

What is the SMILES notation for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The canonical SMILES for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is CNC(=O)c1cc(Nc2nccc(-c3cc(C#N)c4c(c3)C(C)(CO)CN4)n2)c(=O)n2c1CCC2.

What is the InChIKey of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

The InChIKey is SNJKGIPRAINBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-25(13-33)12-29-21-15(11-26)8-14(9-17(21)25)18-5-6-28-24(30-18)31-19-10-16(22(34)27-2)20-4-3-7-32(20)23(19)35/h5-6,8-10,29,33H,3-4,7,12-13H2,1-2H3,(H,27,34)(H,28,30,31).

What are the key properties of 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide?

6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 1.90, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-N-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide is sourced from PubChem (CID 155110733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155110733 — identifiers, structure, computed properties (public domain)

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