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

C22H22N8O — CID 22432132

IUPAC[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n2ncnc2n1
InChIInChI=1S/C22H22N8O/c1-16-14-20(30-22(26-16)24-15-25-30)27-18-7-5-17(6-8-18)21(31)29-12-10-28(11-13-29)19-4-2-3-9-23-19/h2-9,14-15,27H,10-13H2,1H3
InChIKeyYNMLIZBATMRDLA-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.53
Rot. Bonds4

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

[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 22432132) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID22432132
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n2ncnc2n1
InChIInChI=1S/C22H22N8O/c1-16-14-20(30-22(26-16)24-15-25-30)27-18-7-5-17(6-8-18)21(31)29-12-10-28(11-13-29)19-4-2-3-9-23-19/h2-9,14-15,27H,10-13H2,1H3
InChIKeyYNMLIZBATMRDLA-UHFFFAOYSA-N
XLogP2.53
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 22431925
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
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
[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
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 141181908
(4-pyridin-2-ylpiperazin-1-yl)-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
CID 22432629
[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-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 58716700
[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 53047653
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556

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-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 22432132) is [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is Cc1cc(Nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)n2ncnc2n1.
What is the InChIKey of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YNMLIZBATMRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-16-14-20(30-22(26-16)24-15-25-30)27-18-7-5-17(6-8-18)21(31)29-12-10-28(11-13-29)19-4-2-3-9-23-19/h2-9,14-15,27H,10-13H2,1H3.
What are the key properties of [4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 414.47 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 22432132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).