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

C23H20FN3O — CID 129309315

IUPAC1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32CC2)CC1
InChIInChI=1S/C23H20FN3O/c24-19-4-2-1-3-17(19)15-12-25-21(26-13-15)27-14-22(7-8-22)18-6-5-16(11-20(18)27)23(28)9-10-23/h1-6,11-13,28H,7-10,14H2
InChIKeyOWVRNMXVPAAEPB-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.45
Rot. Bonds3

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

1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol (PubChem CID 129309315) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol
PubChem CID129309315
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol
SMILESOC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32CC2)CC1
InChIInChI=1S/C23H20FN3O/c24-19-4-2-1-3-17(19)15-12-25-21(26-13-15)27-14-22(7-8-22)18-6-5-16(11-20(18)27)23(28)9-10-23/h1-6,11-13,28H,7-10,14H2
InChIKeyOWVRNMXVPAAEPB-UHFFFAOYSA-N
XLogP4.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.45
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]cyclopropan-1-ol?
The IUPAC name of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol (CID 129309315) is 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol is OC1(c2ccc3c(c2)N(c2ncc(-c4ccccc4F)cn2)CC32CC2)CC1.
What is the InChIKey of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol?
The InChIKey is OWVRNMXVPAAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-19-4-2-1-3-17(19)15-12-25-21(26-13-15)27-14-22(7-8-22)18-6-5-16(11-20(18)27)23(28)9-10-23/h1-6,11-13,28H,7-10,14H2.
What are the key properties of 1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol?
1-[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]cyclopropan-1-ol has a molecular weight of 373.43 g/mol, XLogP of 4.45, 3 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]cyclopropan-1-ol is sourced from PubChem (CID 129309315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).