1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C20H25N7O — CID 3242799

IUPAC1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)n2n1
InChIInChI=1S/C20H25N7O/c1-14-17(15(2)27-20(22-14)23-16(3)24-27)7-8-19(28)26-12-10-25(11-13-26)18-6-4-5-9-21-18/h4-6,9H,7-8,10-13H2,1-3H3
InChIKeyFKVOFAKGAMZCDE-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.73
Rot. Bonds4

About 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 3242799) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID3242799
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)n2n1
InChIInChI=1S/C20H25N7O/c1-14-17(15(2)27-20(22-14)23-16(3)24-27)7-8-19(28)26-12-10-25(11-13-26)18-6-4-5-9-21-18/h4-6,9H,7-8,10-13H2,1-3H3
InChIKeyFKVOFAKGAMZCDE-UHFFFAOYSA-N
XLogP1.73
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one with MolForge

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Related Compounds

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1-[3-(4-Methylpiperazin-1-yl)propyl]-4-{3-phenylpyrazolo[1,5-a]pyrimidin-6-yl}-1,2-dihydropyridin-2-one
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N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
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Jqez5
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CID 10027595
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10322057
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 3242799) is 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2nc(C)c(CCC(=O)N3CCN(c4ccccn4)CC3)c(C)n2n1.
What is the InChIKey of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is FKVOFAKGAMZCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-14-17(15(2)27-20(22-14)23-16(3)24-27)7-8-19(28)26-12-10-25(11-13-26)18-6-4-5-9-21-18/h4-6,9H,7-8,10-13H2,1-3H3.
What are the key properties of 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 379.47 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 3242799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).