3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione

C26H24N8O2 — CID 134205586

IUPAC3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
InChIKeyPWAILKFEUQGCNZ-UHFFFAOYSA-N
MW480.53 g/mol
LogP2.59
Rot. Bonds6

About 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione

3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione (PubChem CID 134205586) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione
PubChem CID134205586
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36)
InChIKeyPWAILKFEUQGCNZ-UHFFFAOYSA-N
XLogP2.59
TPSA107.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione?
The IUPAC name of 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione (CID 134205586) is 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione.
What is the SMILES notation for 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione?
The canonical SMILES for 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3ccccc3n1)n2Cc1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione?
The InChIKey is PWAILKFEUQGCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-3-33-24-23(25(35)29-26(33)36)34(15-17-7-9-18(10-8-17)20-11-13-31(2)30-20)22(28-24)14-19-16-32-12-5-4-6-21(32)27-19/h4-13,16H,3,14-15H2,1-2H3,(H,29,35,36).
What are the key properties of 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione?
3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione has a molecular weight of 480.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione is sourced from PubChem (CID 134205586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).