cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

C24H25N7O3 — CID 118022873

About cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone

cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone (PubChem CID 118022873) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
• PubChem CID: 118022873
• Molecular Formula: C24H25N7O3
• Molecular Weight: 459.51 g/mol
• Exact Mass: 459.20
• IUPAC Name: cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone
• SMILES: Cn1cc(C(=O)C2CC2)c2cc(Nc3nccc(-n4cc(CN5C[C@H](O)CO5)cn4)n3)ccc21
• InChI: InChI=1S/C24H25N7O3/c1-29-13-20(23(33)16-2-3-16)19-8-17(4-5-21(19)29)27-24-25-7-6-22(28-24)31-11-15(9-26-31)10-30-12-18(32)14-34-30/h4-9,11,13,16,18,32H,2-3,10,12,14H2,1H3,(H,25,27,28)/t18-/m0/s1
• InChIKey: LGAANFVKOYQKJI-SFHVURJKSA-N
• XLogP: 2.60
• TPSA: 110.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.51
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?

The IUPAC name of cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone (CID 118022873) is cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone.

What is the SMILES notation for cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?

The canonical SMILES for cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone is Cn1cc(C(=O)C2CC2)c2cc(Nc3nccc(-n4cc(CN5C[C@H](O)CO5)cn4)n3)ccc21.

What is the InChIKey of cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?

The InChIKey is LGAANFVKOYQKJI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-29-13-20(23(33)16-2-3-16)19-8-17(4-5-21(19)29)27-24-25-7-6-22(28-24)31-11-15(9-26-31)10-30-12-18(32)14-34-30/h4-9,11,13,16,18,32H,2-3,10,12,14H2,1H3,(H,25,27,28)/t18-/m0/s1.

What are the key properties of cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone?

cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone has a molecular weight of 459.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-1-methylindol-3-yl]methanone is sourced from PubChem (CID 118022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).