[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C19H25N7O — CID 46986105

IUPAC[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCC(C)(C)c1cn(CC2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1
InChIInChI=1S/C19H25N7O/c1-19(2,3)16-13-26(23-22-16)11-14-5-9-24(10-6-14)17(27)15-12-25-8-4-7-20-18(25)21-15/h4,7-8,12-14H,5-6,9-11H2,1-3H3
InChIKeyXEKWIWRBQPLTRQ-UHFFFAOYSA-N
MW367.46 g/mol
LogP2.17
Rot. Bonds3

About [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 46986105) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID46986105
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCC(C)(C)c1cn(CC2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1
InChIInChI=1S/C19H25N7O/c1-19(2,3)16-13-26(23-22-16)11-14-5-9-24(10-6-14)17(27)15-12-25-8-4-7-20-18(25)21-15/h4,7-8,12-14H,5-6,9-11H2,1-3H3
InChIKeyXEKWIWRBQPLTRQ-UHFFFAOYSA-N
XLogP2.17
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 46986105) is [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is CC(C)(C)c1cn(CC2CCN(C(=O)c3cn4cccnc4n3)CC2)nn1.
What is the InChIKey of [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is XEKWIWRBQPLTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-19(2,3)16-13-26(23-22-16)11-14-5-9-24(10-6-14)17(27)15-12-25-8-4-7-20-18(25)21-15/h4,7-8,12-14H,5-6,9-11H2,1-3H3.
What are the key properties of [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 367.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-tert-butyltriazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 46986105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).