1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]

C23H22FN3S — CID 129309399

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]
SMILESCC(C)Sc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H22FN3S/c1-15(2)28-17-7-8-19-21(11-17)27(14-23(19)9-10-23)22-25-12-16(13-26-22)18-5-3-4-6-20(18)24/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyAZNGUPXRNRWQKE-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.97
Rot. Bonds4

About 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] (PubChem CID 129309399) has the molecular formula C23H22FN3S and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane].

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]
PubChem CID129309399
Molecular FormulaC23H22FN3S
Molecular Weight391.52 g/mol
Exact Mass391.15
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]
SMILESCC(C)Sc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H22FN3S/c1-15(2)28-17-7-8-19-21(11-17)27(14-23(19)9-10-23)22-25-12-16(13-26-22)18-5-3-4-6-20(18)24/h3-8,11-13,15H,9-10,14H2,1-2H3
InChIKeyAZNGUPXRNRWQKE-UHFFFAOYSA-N
XLogP5.97
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] (CID 129309399) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane].
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] is CC(C)Sc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
The InChIKey is AZNGUPXRNRWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3S/c1-15(2)28-17-7-8-19-21(11-17)27(14-23(19)9-10-23)22-25-12-16(13-26-22)18-5-3-4-6-20(18)24/h3-8,11-13,15H,9-10,14H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane]?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] has a molecular weight of 391.52 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-6-propan-2-ylsulfanylspiro[2H-indole-3,1'-cyclopropane] is sourced from PubChem (CID 129309399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).