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

C27H31N7O3 — CID 118022996

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

cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone (PubChem CID 118022996) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone
• PubChem CID: 118022996
• Molecular Formula: C27H31N7O3
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.25
• IUPAC Name: cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone
• SMILES: Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C(C)C)n2)cc1CN1C[C@H](O)CO1
• InChI: InChI=1S/C27H31N7O3/c1-16(2)33-14-23(26(36)18-4-5-18)22-10-20(6-7-24(22)33)29-27-28-9-8-25(30-27)34-12-19(17(3)31-34)11-32-13-21(35)15-37-32/h6-10,12,14,16,18,21,35H,4-5,11,13,15H2,1-3H3,(H,28,29,30)/t21-/m0/s1
• InChIKey: QFFPVRRLEUQNPK-NRFANRHFSA-N
• XLogP: 3.95
• TPSA: 110.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.95
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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone?

The IUPAC name of cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone (CID 118022996) is cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone.

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

The canonical SMILES for cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone is Cc1nn(-c2ccnc(Nc3ccc4c(c3)c(C(=O)C3CC3)cn4C(C)C)n2)cc1CN1C[C@H](O)CO1.

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

The InChIKey is QFFPVRRLEUQNPK-NRFANRHFSA-N. The full InChI is InChI=1S/C27H31N7O3/c1-16(2)33-14-23(26(36)18-4-5-18)22-10-20(6-7-24(22)33)29-27-28-9-8-25(30-27)34-12-19(17(3)31-34)11-32-13-21(35)15-37-32/h6-10,12,14,16,18,21,35H,4-5,11,13,15H2,1-3H3,(H,28,29,30)/t21-/m0/s1.

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

cyclopropyl-[5-[[4-[4-[[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone has a molecular weight of 501.59 g/mol, XLogP of 3.95, 8 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]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-1-propan-2-ylindol-3-yl]methanone is sourced from PubChem (CID 118022996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).