1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol

C24H24FN3O — CID 129309312

IUPAC1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C24H24FN3O/c1-15(2)22(29)16-7-8-19-21(11-16)28(14-24(19)9-10-24)23-26-12-17(13-27-23)18-5-3-4-6-20(18)25/h3-8,11-13,15,22,29H,9-10,14H2,1-2H3
InChIKeyHBPXDYRYZYDBCN-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.16
Rot. Bonds4

About 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol

1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol (PubChem CID 129309312) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol
PubChem CID129309312
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C24H24FN3O/c1-15(2)22(29)16-7-8-19-21(11-16)28(14-24(19)9-10-24)23-26-12-17(13-27-23)18-5-3-4-6-20(18)25/h3-8,11-13,15,22,29H,9-10,14H2,1-2H3
InChIKeyHBPXDYRYZYDBCN-UHFFFAOYSA-N
XLogP5.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol (CID 129309312) is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol?
The InChIKey is HBPXDYRYZYDBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-15(2)22(29)16-7-8-19-21(11-16)28(14-24(19)9-10-24)23-26-12-17(13-27-23)18-5-3-4-6-20(18)25/h3-8,11-13,15,22,29H,9-10,14H2,1-2H3.
What are the key properties of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol?
1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol has a molecular weight of 389.47 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 129309312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).