1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone

C44H47N11O2 — CID 158200182

IUPAC1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)N4CCCC4)cc3)cnc12.COc1ncc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1
InChIInChI=1S/C25H27N5O.C19H20N6O/c1-17(2)15-26-23-24-27-16-22(30(24)21-8-4-3-7-20(21)28-23)18-9-11-19(12-10-18)25(31)29-13-5-6-14-29;1-12(2)8-20-17-18-21-11-16(13-9-22-19(26-3)23-10-13)25(18)15-7-5-4-6-14(15)24-17/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,26,28);4-7,9-12H,8H2,1-3H3,(H,20,24)
InChIKeyGAVJBTKUZGEOJY-UHFFFAOYSA-N
MW761.94 g/mol
LogP8.27
Rot. Bonds10

About 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone

1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 158200182) has the molecular formula C44H47N11O2 and a molecular weight of 761.94 g/mol. Its IUPAC name is 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID158200182
Molecular FormulaC44H47N11O2
Molecular Weight761.94 g/mol
Exact Mass761.39
IUPAC Name1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)N4CCCC4)cc3)cnc12.COc1ncc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1
InChIInChI=1S/C25H27N5O.C19H20N6O/c1-17(2)15-26-23-24-27-16-22(30(24)21-8-4-3-7-20(21)28-23)18-9-11-19(12-10-18)25(31)29-13-5-6-14-29;1-12(2)8-20-17-18-21-11-16(13-9-22-19(26-3)23-10-13)25(18)15-7-5-4-6-14(15)24-17/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,26,28);4-7,9-12H,8H2,1-3H3,(H,20,24)
InChIKeyGAVJBTKUZGEOJY-UHFFFAOYSA-N
XLogP8.27
TPSA139.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.94
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

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4-[8-Azanyl-3-[(3~{r})-1-(3-Methyloxetan-3-Yl)carbonylpiperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
CID 71222614
4-[8-Azanyl-3-[(3~{r},6~{s})-1-Cyclopropylcarbonyl-6-Methyl-Piperidin-3-Yl]imidazo[1,5-A]pyrazin-1-Yl]-3-Fluoranyl-~{n}-[4-(Trifluoromethyl)pyridin-2-Yl]benzamide
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{4-[9-Phenyl-2-(quinolin-3-ylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762176
N-(4-{5-[3-(Acetylamino)phenyl]-2-(2-Aminopyridin-3-Yl)-3h-Imidazo[4,5-B]pyridin-3-Yl}benzyl)-3-Fluorobenzamide
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7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
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MpsBAY2a
CID 57381882
US9718828, Example, 398
CID 71225940
US9718828, Example, 397
CID 71226110
(R)-4-(8-amino-3-(1-(3-methyloxetane-3-carbonyl)piperidin-3-yl)imidazo[1,5-a]pyrazin-1-yl)-3-fluoro-N-(4-(trifluoromethyl)-pyridin-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 158200182) is 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone is CC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)N4CCCC4)cc3)cnc12.COc1ncc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)cn1.
What is the InChIKey of 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GAVJBTKUZGEOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.C19H20N6O/c1-17(2)15-26-23-24-27-16-22(30(24)21-8-4-3-7-20(21)28-23)18-9-11-19(12-10-18)25(31)29-13-5-6-14-29;1-12(2)8-20-17-18-21-11-16(13-9-22-19(26-3)23-10-13)25(18)15-7-5-4-6-14(15)24-17/h3-4,7-12,16-17H,5-6,13-15H2,1-2H3,(H,26,28);4-7,9-12H,8H2,1-3H3,(H,20,24).
What are the key properties of 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone?
1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 761.94 g/mol, XLogP of 8.27, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyrimidin-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 158200182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).