N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

C27H42N6O2 — CID 71117185

IUPACN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)NC2CC=C(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CC2)CC1
InChIInChI=1S/C27H42N6O2/c1-19(2)32-15-13-31(14-16-32)17-24(34)28-21-9-7-20(8-10-21)22-11-12-23-25(29-22)30(6)26(35)33(23)18-27(3,4)5/h7,11-12,19,21H,8-10,13-18H2,1-6H3,(H,28,34)
InChIKeyFYEMXBHUHCEZON-UHFFFAOYSA-N
MW482.67 g/mol
LogP2.86
Rot. Bonds6

About N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide

N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (PubChem CID 71117185) has the molecular formula C27H42N6O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
PubChem CID71117185
Molecular FormulaC27H42N6O2
Molecular Weight482.67 g/mol
Exact Mass482.34
IUPAC NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)N1CCN(CC(=O)NC2CC=C(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CC2)CC1
InChIInChI=1S/C27H42N6O2/c1-19(2)32-15-13-31(14-16-32)17-24(34)28-21-9-7-20(8-10-21)22-11-12-23-25(29-22)30(6)26(35)33(23)18-27(3,4)5/h7,11-12,19,21H,8-10,13-18H2,1-6H3,(H,28,34)
InChIKeyFYEMXBHUHCEZON-UHFFFAOYSA-N
XLogP2.86
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide (CID 71117185) is N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is CC(C)N1CCN(CC(=O)NC2CC=C(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CC2)CC1.
What is the InChIKey of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
The InChIKey is FYEMXBHUHCEZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N6O2/c1-19(2)32-15-13-31(14-16-32)17-24(34)28-21-9-7-20(8-10-21)22-11-12-23-25(29-22)30(6)26(35)33(23)18-27(3,4)5/h7,11-12,19,21H,8-10,13-18H2,1-6H3,(H,28,34).
What are the key properties of N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide?
N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide has a molecular weight of 482.67 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 71117185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).