N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide

C23H21FN4O — CID 129309552

IUPACN-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H21FN4O/c1-15(29)25-11-16-6-7-19-21(10-16)28(14-23(19)8-9-23)22-26-12-17(13-27-22)18-4-2-3-5-20(18)24/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,29)
InChIKeyRLVKURMHUMDGOO-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.10
Rot. Bonds4

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

N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide (PubChem CID 129309552) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
PubChem CID129309552
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C23H21FN4O/c1-15(29)25-11-16-6-7-19-21(10-16)28(14-23(19)8-9-23)22-26-12-17(13-27-22)18-4-2-3-5-20(18)24/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,29)
InChIKeyRLVKURMHUMDGOO-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?
The IUPAC name of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide (CID 129309552) is N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?
The InChIKey is RLVKURMHUMDGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15(29)25-11-16-6-7-19-21(10-16)28(14-23(19)8-9-23)22-26-12-17(13-27-22)18-4-2-3-5-20(18)24/h2-7,10,12-13H,8-9,11,14H2,1H3,(H,25,29).
What are the key properties of N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide?
N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(2-fluorophenyl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-yl]methyl]acetamide is sourced from PubChem (CID 129309552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).