4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

C26H22FN5O2 — CID 58686675

IUPAC4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NC3CC4(CC4)c4cc(C#N)ccc43)ncn2)ccc1F
InChIInChI=1S/C26H22FN5O2/c1-15-8-17(3-5-20(15)27)13-29-24(33)21-10-22(31-14-30-21)25(34)32-23-11-26(6-7-26)19-9-16(12-28)2-4-18(19)23/h2-5,8-10,14,23H,6-7,11,13H2,1H3,(H,29,33)(H,32,34)
InChIKeySTGMLMZHHRYERV-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.63
Rot. Bonds5

About 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide

4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (PubChem CID 58686675) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
PubChem CID58686675
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
SMILESCc1cc(CNC(=O)c2cc(C(=O)NC3CC4(CC4)c4cc(C#N)ccc43)ncn2)ccc1F
InChIInChI=1S/C26H22FN5O2/c1-15-8-17(3-5-20(15)27)13-29-24(33)21-10-22(31-14-30-21)25(34)32-23-11-26(6-7-26)19-9-16(12-28)2-4-18(19)23/h2-5,8-10,14,23H,6-7,11,13H2,1H3,(H,29,33)(H,32,34)
InChIKeySTGMLMZHHRYERV-UHFFFAOYSA-N
XLogP3.63
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide with MolForge

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Related Compounds

4-N-[(1S)-5-cyano-2,2-dimethyl-1,3-dihydroinden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686318
4-N-[(3R)-6-cyano-1-(dimethylcarbamoyl)-2,3-dihydroindol-3-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686458
4-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686072
4-N-[(6E)-6-bromo-13-cyano-8-methylidene-4-azabicyclo[9.4.0]pentadeca-1(11),4,6,12,14-pentaen-2-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 143273058
4-N-[(1S)-3,3-difluoro-5-(2H-tetrazol-5-yl)-1,2-dihydroinden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58687072
4-N-[(6S)-2-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686252
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-(5-methoxy-2,3-dihydro-1H-inden-1-yl)pyrimidine-4,6-dicarboxamide
CID 58686089
4-N-[(1S)-3,3-difluoro-5-[[(Z)-formamidodiazenyl]-methylamino]-1,2-dihydroinden-1-yl]-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 143273197
4-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-6-N-[(5-propan-2-ylfuran-3-yl)methyl]pyrimidine-4,6-dicarboxamide
CID 58686969
methyl (1S)-1-[[2-cyano-6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 58686343
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(1S)-5-(2-methyltetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-dicarboxamide
CID 11576720
7-N-(6-cyano-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide;5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 157049662

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The IUPAC name of 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide (CID 58686675) is 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide.
What is the SMILES notation for 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The canonical SMILES for 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is Cc1cc(CNC(=O)c2cc(C(=O)NC3CC4(CC4)c4cc(C#N)ccc43)ncn2)ccc1F.
What is the InChIKey of 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
The InChIKey is STGMLMZHHRYERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-15-8-17(3-5-20(15)27)13-29-24(33)21-10-22(31-14-30-21)25(34)32-23-11-26(6-7-26)19-9-16(12-28)2-4-18(19)23/h2-5,8-10,14,23H,6-7,11,13H2,1H3,(H,29,33)(H,32,34).
What are the key properties of 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide?
4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyanospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)-6-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide is sourced from PubChem (CID 58686675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).