4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile

C22H21N7O3 — CID 67888370

IUPAC4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile
SMILESCOC1(c2nnn(C#N)c2-c2ncn3c2c(=O)n(C2(C)CCCO2)c2ccccc23)CC1
InChIInChI=1S/C22H21N7O3/c1-21(8-5-11-32-21)29-15-7-4-3-6-14(15)27-13-24-16(18(27)20(29)30)17-19(22(31-2)9-10-22)25-26-28(17)12-23/h3-4,6-7,13H,5,8-11H2,1-2H3
InChIKeyLXCSXAHIWVVSTG-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.36
Rot. Bonds4

About 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile

4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile (PubChem CID 67888370) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile.

Molecular Properties

Compound Name4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile
PubChem CID67888370
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile
SMILESCOC1(c2nnn(C#N)c2-c2ncn3c2c(=O)n(C2(C)CCCO2)c2ccccc23)CC1
InChIInChI=1S/C22H21N7O3/c1-21(8-5-11-32-21)29-15-7-4-3-6-14(15)27-13-24-16(18(27)20(29)30)17-19(22(31-2)9-10-22)25-26-28(17)12-23/h3-4,6-7,13H,5,8-11H2,1-2H3
InChIKeyLXCSXAHIWVVSTG-UHFFFAOYSA-N
XLogP2.36
TPSA112.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile?
The IUPAC name of 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile (CID 67888370) is 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile.
What is the SMILES notation for 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile?
The canonical SMILES for 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile is COC1(c2nnn(C#N)c2-c2ncn3c2c(=O)n(C2(C)CCCO2)c2ccccc23)CC1.
What is the InChIKey of 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile?
The InChIKey is LXCSXAHIWVVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-21(8-5-11-32-21)29-15-7-4-3-6-14(15)27-13-24-16(18(27)20(29)30)17-19(22(31-2)9-10-22)25-26-28(17)12-23/h3-4,6-7,13H,5,8-11H2,1-2H3.
What are the key properties of 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile?
4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile has a molecular weight of 431.46 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxycyclopropyl)-5-[5-(2-methyloxolan-2-yl)-4-oxoimidazo[1,5-a]quinoxalin-3-yl]triazole-1-carbonitrile is sourced from PubChem (CID 67888370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).