N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide

C24H27N7O3 — CID 134220540

IUPACN-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H27N7O3/c1-3-30-22-21(23(33)28-24(30)34)31(13-16-7-9-17(10-8-16)25-15(2)32)20(27-22)12-18-14-29-11-5-4-6-19(29)26-18/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,32)(H,28,33,34)
InChIKeyCGLOGXGDGPMEGS-UHFFFAOYSA-N
MW461.53 g/mol
LogP2.04
Rot. Bonds6

About N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide

N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide (PubChem CID 134220540) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide
PubChem CID134220540
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC NameN-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide
SMILESCCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H27N7O3/c1-3-30-22-21(23(33)28-24(30)34)31(13-16-7-9-17(10-8-16)25-15(2)32)20(27-22)12-18-14-29-11-5-4-6-19(29)26-18/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,32)(H,28,33,34)
InChIKeyCGLOGXGDGPMEGS-UHFFFAOYSA-N
XLogP2.04
TPSA119.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide (CID 134220540) is N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide is CCn1c(=O)[nH]c(=O)c2c1nc(Cc1cn3c(n1)CCCC3)n2Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide?
The InChIKey is CGLOGXGDGPMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-3-30-22-21(23(33)28-24(30)34)31(13-16-7-9-17(10-8-16)25-15(2)32)20(27-22)12-18-14-29-11-5-4-6-19(29)26-18/h7-10,14H,3-6,11-13H2,1-2H3,(H,25,32)(H,28,33,34).
What are the key properties of N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide?
N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide has a molecular weight of 461.53 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-ethyl-2,6-dioxo-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 134220540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).