[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone

C23H23N7O — CID 22431925

IUPAC[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n2ncnc2n1
InChIInChI=1S/C23H23N7O/c1-17-15-21(30-23(26-17)24-16-25-30)27-19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16,27H,11-14H2,1H3
InChIKeyGZEPYRQWASTFTR-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.14
Rot. Bonds4

About [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 22431925) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID22431925
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n2ncnc2n1
InChIInChI=1S/C23H23N7O/c1-17-15-21(30-23(26-17)24-16-25-30)27-19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16,27H,11-14H2,1H3
InChIKeyGZEPYRQWASTFTR-UHFFFAOYSA-N
XLogP3.14
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 22432132
[4-[2-chloro-4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 22434132
furan-2-yl-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433766
methyl 2-[4-[4-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287591
(2-fluorophenyl)-[4-[4-[[5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]piperazin-1-yl]methanone
CID 22433767
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55853214
[4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58599465
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133279335
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 121496815

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 22431925) is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc(Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n2ncnc2n1.
What is the InChIKey of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is GZEPYRQWASTFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-17-15-21(30-23(26-17)24-16-25-30)27-19-9-7-18(8-10-19)22(31)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16,27H,11-14H2,1H3.
What are the key properties of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 22431925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).