[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone

C26H28N6O — CID 118659756

About [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone

[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118659756) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 118659756
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone
• SMILES: CN(C)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCCC5)cc43)nc2)c1
• InChI: InChI=1S/C26H28N6O/c1-30(2)20-7-10-27-22(14-20)19-15-28-25(29-16-19)32-17-26(8-9-26)21-6-5-18(13-23(21)32)24(33)31-11-3-4-12-31/h5-7,10,13-16H,3-4,8-9,11-12,17H2,1-2H3
• InChIKey: HEEZHYSRGGXUHT-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 65.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone (CID 118659756) is [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone is CN(C)c1ccnc(-c2cnc(N3CC4(CC4)c4ccc(C(=O)N5CCCC5)cc43)nc2)c1.

What is the InChIKey of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is HEEZHYSRGGXUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-30(2)20-7-10-27-22(14-20)19-15-28-25(29-16-19)32-17-26(8-9-26)21-6-5-18(13-23(21)32)24(33)31-11-3-4-12-31/h5-7,10,13-16H,3-4,8-9,11-12,17H2,1-2H3.

What are the key properties of [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone?

[1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 440.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5-[4-(dimethylamino)-2-pyridinyl]pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118659756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).