6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

C24H21F2N5O3 — CID 166135366

IUPAC6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1cc2c(cc1Nc1cc(N3OCC[C@@H]3c3cc(F)cc(F)c3)ncn1)NC(=O)C21CC1
InChIInChI=1S/C24H21F2N5O3/c1-33-20-9-16-17(30-23(32)24(16)3-4-24)10-18(20)29-21-11-22(28-12-27-21)31-19(2-5-34-31)13-6-14(25)8-15(26)7-13/h6-12,19H,2-5H2,1H3,(H,30,32)(H,27,28,29)/t19-/m1/s1
InChIKeyFXZHTIPIJUUKBE-LJQANCHMSA-N
MW465.46 g/mol
LogP4.37
Rot. Bonds5

About 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 166135366) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID166135366
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC Name6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESCOc1cc2c(cc1Nc1cc(N3OCC[C@@H]3c3cc(F)cc(F)c3)ncn1)NC(=O)C21CC1
InChIInChI=1S/C24H21F2N5O3/c1-33-20-9-16-17(30-23(32)24(16)3-4-24)10-18(20)29-21-11-22(28-12-27-21)31-19(2-5-34-31)13-6-14(25)8-15(26)7-13/h6-12,19H,2-5H2,1H3,(H,30,32)(H,27,28,29)/t19-/m1/s1
InChIKeyFXZHTIPIJUUKBE-LJQANCHMSA-N
XLogP4.37
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one (CID 166135366) is 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is COc1cc2c(cc1Nc1cc(N3OCC[C@@H]3c3cc(F)cc(F)c3)ncn1)NC(=O)C21CC1.
What is the InChIKey of 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is FXZHTIPIJUUKBE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-33-20-9-16-17(30-23(32)24(16)3-4-24)10-18(20)29-21-11-22(28-12-27-21)31-19(2-5-34-31)13-6-14(25)8-15(26)7-13/h6-12,19H,2-5H2,1H3,(H,30,32)(H,27,28,29)/t19-/m1/s1.
What are the key properties of 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one?
6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 465.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 166135366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).