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

C23H32N4O3 — CID 71117091

IUPACN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)C4CCCO4)CC3)nc21
InChIInChI=1S/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28)
InChIKeyFXSLIYBWDYTXJB-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.01
Rot. Bonds4

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

N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide (PubChem CID 71117091) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 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]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide
PubChem CID71117091
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)C4CCCO4)CC3)nc21
InChIInChI=1S/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28)
InChIKeyFXSLIYBWDYTXJB-UHFFFAOYSA-N
XLogP3.01
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]oxolane-2-carboxamide?
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]oxolane-2-carboxamide (CID 71117091) is N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide.
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]oxolane-2-carboxamide?
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]oxolane-2-carboxamide is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CCC(NC(=O)C4CCCO4)CC3)nc21.
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]oxolane-2-carboxamide?
The InChIKey is FXSLIYBWDYTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28).
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]oxolane-2-carboxamide?
N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]oxolane-2-carboxamide has a molecular weight of 412.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]oxolane-2-carboxamide is sourced from PubChem (CID 71117091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).