2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide

C33H32N8O2 — CID 66601330

IUPAC2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cnc4c(NCC(C)C)nc5ccccc5n34)cc2)c1
InChIInChI=1S/C33H32N8O2/c1-4-40-28(16-17-36-40)33(43)38-25-9-7-8-24(18-25)37-32(42)23-14-12-22(13-15-23)29-20-35-31-30(34-19-21(2)3)39-26-10-5-6-11-27(26)41(29)31/h5-18,20-21H,4,19H2,1-3H3,(H,34,39)(H,37,42)(H,38,43)
InChIKeyAJMXUILRXHBFFJ-UHFFFAOYSA-N
MW572.67 g/mol
LogP6.34
Rot. Bonds9

About 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide

2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide (PubChem CID 66601330) has the molecular formula C33H32N8O2 and a molecular weight of 572.67 g/mol. Its IUPAC name is 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
PubChem CID66601330
Molecular FormulaC33H32N8O2
Molecular Weight572.67 g/mol
Exact Mass572.26
IUPAC Name2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cnc4c(NCC(C)C)nc5ccccc5n34)cc2)c1
InChIInChI=1S/C33H32N8O2/c1-4-40-28(16-17-36-40)33(43)38-25-9-7-8-24(18-25)37-32(42)23-14-12-22(13-15-23)29-20-35-31-30(34-19-21(2)3)39-26-10-5-6-11-27(26)41(29)31/h5-18,20-21H,4,19H2,1-3H3,(H,34,39)(H,37,42)(H,38,43)
InChIKeyAJMXUILRXHBFFJ-UHFFFAOYSA-N
XLogP6.34
TPSA118.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 163530972
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
2-ethyl-N-[3-[(4-nitrobenzoyl)amino]phenyl]pyrazole-3-carboxamide
CID 4865698
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
3-[3-[4-(cyclopropylcarbamoyl)phenyl]-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-6-yl]-N-phenylbenzamide
CID 67972903
N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)imidazo[1,2-a]quinoxalin-4-amine
CID 159532001
N-[3-[2-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide
CID 19533810
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440776
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
1-(4-methoxy-2-methylphenyl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 66601356

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide (CID 66601330) is 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(-c3cnc4c(NCC(C)C)nc5ccccc5n34)cc2)c1.
What is the InChIKey of 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is AJMXUILRXHBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N8O2/c1-4-40-28(16-17-36-40)33(43)38-25-9-7-8-24(18-25)37-32(42)23-14-12-22(13-15-23)29-20-35-31-30(34-19-21(2)3)39-26-10-5-6-11-27(26)41(29)31/h5-18,20-21H,4,19H2,1-3H3,(H,34,39)(H,37,42)(H,38,43).
What are the key properties of 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide?
2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 572.67 g/mol, XLogP of 6.34, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 66601330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).