7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

C23H20N6O2 — CID 134208826

IUPAC7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
SMILESO=c1[nH]c(=O)n(C2CC2)c2nc(Cc3cn4ccccc4n3)n(Cc3ccccc3)c12
InChIInChI=1S/C23H20N6O2/c30-22-20-21(29(17-9-10-17)23(31)26-22)25-19(28(20)13-15-6-2-1-3-7-15)12-16-14-27-11-5-4-8-18(27)24-16/h1-8,11,14,17H,9-10,12-13H2,(H,26,30,31)
InChIKeyNFUIGWIHITWNAY-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.51
Rot. Bonds5

About 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione

7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione (PubChem CID 134208826) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
PubChem CID134208826
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione
SMILESO=c1[nH]c(=O)n(C2CC2)c2nc(Cc3cn4ccccc4n3)n(Cc3ccccc3)c12
InChIInChI=1S/C23H20N6O2/c30-22-20-21(29(17-9-10-17)23(31)26-22)25-19(28(20)13-15-6-2-1-3-7-15)12-16-14-27-11-5-4-8-18(27)24-16/h1-8,11,14,17H,9-10,12-13H2,(H,26,30,31)
InChIKeyNFUIGWIHITWNAY-UHFFFAOYSA-N
XLogP2.51
TPSA89.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-benzyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propylpurine-2,6-dione
CID 134220520
7-benzyl-3-cyclopropyl-8-[(6-propan-2-yl-1H-benzimidazol-2-yl)methyl]purine-2,6-dione
CID 122505998
3-benzyl-7-butyl-8-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]purine-2,6-dione
CID 24579067
7-benzyl-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 1089313
3-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7029190
3-ethyl-7-[[4-(2-hydroxyethyl)phenyl]methyl]-8-(imidazo[1,2-a]pyridin-2-ylmethyl)-8,9-dihydropurine-2,6-dione
CID 155071258
1-[(3S)-1-benzylpyrrolidin-3-yl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 94028303
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 4902750
(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)methyl-butyl-ethylazanium
CID 7137117
7-benzyl-8-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-3-ethylpurine-2,6-dione
CID 134262442
(4aS,8aR)-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 95576057
3-[(4-fluorophenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7225921

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The IUPAC name of 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione (CID 134208826) is 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione.
What is the SMILES notation for 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The canonical SMILES for 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione is O=c1[nH]c(=O)n(C2CC2)c2nc(Cc3cn4ccccc4n3)n(Cc3ccccc3)c12.
What is the InChIKey of 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
The InChIKey is NFUIGWIHITWNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-22-20-21(29(17-9-10-17)23(31)26-22)25-19(28(20)13-15-6-2-1-3-7-15)12-16-14-27-11-5-4-8-18(27)24-16/h1-8,11,14,17H,9-10,12-13H2,(H,26,30,31).
What are the key properties of 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione?
7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione has a molecular weight of 412.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-cyclopropyl-8-(imidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione is sourced from PubChem (CID 134208826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).