[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C18H24N8O — CID 70704325

IUPAC[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3cn4cccnc4n3)CC2)n1C
InChIInChI=1S/C18H24N8O/c1-23(2)12-15-21-22-16(24(15)3)13-5-9-25(10-6-13)17(27)14-11-26-8-4-7-19-18(26)20-14/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3
InChIKeyGGPULNGBHUIVLT-UHFFFAOYSA-N
MW368.45 g/mol
LogP0.94
Rot. Bonds4

About [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 70704325) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID70704325
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCN(C)Cc1nnc(C2CCN(C(=O)c3cn4cccnc4n3)CC2)n1C
InChIInChI=1S/C18H24N8O/c1-23(2)12-15-21-22-16(24(15)3)13-5-9-25(10-6-13)17(27)14-11-26-8-4-7-19-18(26)20-14/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3
InChIKeyGGPULNGBHUIVLT-UHFFFAOYSA-N
XLogP0.94
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 70704325) is [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is CN(C)Cc1nnc(C2CCN(C(=O)c3cn4cccnc4n3)CC2)n1C.
What is the InChIKey of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is GGPULNGBHUIVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-23(2)12-15-21-22-16(24(15)3)13-5-9-25(10-6-13)17(27)14-11-26-8-4-7-19-18(26)20-14/h4,7-8,11,13H,5-6,9-10,12H2,1-3H3.
What are the key properties of [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 368.45 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 70704325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).