2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide

C24H25N5O — CID 176502051

IUPAC2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(n4cccc5ccnc4-5)CC3)cc2nc1C
InChIInChI=1S/C24H25N5O/c1-15-16(2)27-22-14-18(5-10-21(22)26-15)24(30)28-19-6-8-20(9-7-19)29-13-3-4-17-11-12-25-23(17)29/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,28,30)
InChIKeyJFYQDIXKULZQFG-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.46
Rot. Bonds3

About 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide

2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide (PubChem CID 176502051) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide
PubChem CID176502051
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC3CCC(n4cccc5ccnc4-5)CC3)cc2nc1C
InChIInChI=1S/C24H25N5O/c1-15-16(2)27-22-14-18(5-10-21(22)26-15)24(30)28-19-6-8-20(9-7-19)29-13-3-4-17-11-12-25-23(17)29/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,28,30)
InChIKeyJFYQDIXKULZQFG-UHFFFAOYSA-N
XLogP4.46
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide
CID 175645409
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554387
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
2-(2H-indazol-3-yl)-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)acetamide
CID 176503598
2,3-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)quinoxaline-6-carboxamide
CID 71902026
2-chloroethyl 4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]piperidine-1-carboxylate
CID 108561509
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
2,3-dimethyl-N-[(1S,2S)-2-methylcyclopentyl]quinoxaline-6-carboxamide
CID 95598062
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide (CID 176502051) is 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC3CCC(n4cccc5ccnc4-5)CC3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide?
The InChIKey is JFYQDIXKULZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-15-16(2)27-22-14-18(5-10-21(22)26-15)24(30)28-19-6-8-20(9-7-19)29-13-3-4-17-11-12-25-23(17)29/h3-5,10-14,19-20H,6-9H2,1-2H3,(H,28,30).
What are the key properties of 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide?
2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 176502051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).