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

C25H26FN5O — CID 118660114

IUPAC1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C25H26FN5O/c1-27-11-12-30(2)23(32)17-7-8-20-22(13-17)31(16-25(20)9-10-25)24-28-14-18(15-29-24)19-5-3-4-6-21(19)26/h3-8,13-15,27H,9-12,16H2,1-2H3
InChIKeyDYPKEHGQYHMXOK-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.76
Rot. Bonds6

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

1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (PubChem CID 118660114) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
PubChem CID118660114
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1
InChIInChI=1S/C25H26FN5O/c1-27-11-12-30(2)23(32)17-7-8-20-22(13-17)31(16-25(20)9-10-25)24-28-14-18(15-29-24)19-5-3-4-6-21(19)26/h3-8,13-15,27H,9-12,16H2,1-2H3
InChIKeyDYPKEHGQYHMXOK-UHFFFAOYSA-N
XLogP3.76
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The IUPAC name of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide (CID 118660114) is 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide.
What is the SMILES notation for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The canonical SMILES for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is CNCCN(C)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccc3F)cn1)CC21CC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
The InChIKey is DYPKEHGQYHMXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-27-11-12-30(2)23(32)17-7-8-20-22(13-17)31(16-25(20)9-10-25)24-28-14-18(15-29-24)19-5-3-4-6-21(19)26/h3-8,13-15,27H,9-12,16H2,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide?
1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)pyrimidin-2-yl]-N-methyl-N-[2-(methylamino)ethyl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide is sourced from PubChem (CID 118660114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).