(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone

C25H27N7O2 — CID 170734256

IUPAC(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
SMILESNc1nc2ccccc2nc1C(=O)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1
InChIInChI=1S/C25H27N7O2/c26-22-21(28-18-3-1-2-4-19(18)29-22)25(33)32-11-6-15(7-12-32)17-5-10-27-24-20(17)30-23(31-24)16-8-13-34-14-9-16/h1-5,10,15-16H,6-9,11-14H2,(H2,26,29)(H,27,30,31)
InChIKeyCRQDHXGGOWBFAS-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.40
Rot. Bonds3

About (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone

(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone (PubChem CID 170734256) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
PubChem CID170734256
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
SMILESNc1nc2ccccc2nc1C(=O)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1
InChIInChI=1S/C25H27N7O2/c26-22-21(28-18-3-1-2-4-19(18)29-22)25(33)32-11-6-15(7-12-32)17-5-10-27-24-20(17)30-23(31-24)16-8-13-34-14-9-16/h1-5,10,15-16H,6-9,11-14H2,(H2,26,29)(H,27,30,31)
InChIKeyCRQDHXGGOWBFAS-UHFFFAOYSA-N
XLogP3.40
TPSA122.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(2,2,2-trifluoroethyl)phenyl]methanone
CID 170734267
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone
CID 176894485
[4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 170734633
1-[4-[7-[1-[2-amino-4-(trifluoromethoxy)benzoyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 170734563
(2-amino-4-methylphenyl)-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 164921742
[4-(2-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 170734259
2-(oxolan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582742
[2-amino-4-(pentafluoro-λ6-sulfanyl)phenyl]-[4-(2-morpholin-2-yl-1H-imidazo[4,5-b]pyridin-7-yl)piperidin-1-yl]methanone
CID 177249394
7-(2-methylpiperidin-4-yl)-2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 174173990
[4-[2-[(2S)-oxolan-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 174173816
[4-[2-[(2R)-morpholin-2-yl]-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(pentafluoro-λ6-sulfanyl)phenyl]methanone
CID 170734051
4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)piperidine-1-carboxylic acid
CID 174174048

Frequently Asked Questions

What is the IUPAC name of (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone (CID 170734256) is (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone is Nc1nc2ccccc2nc1C(=O)N1CCC(c2ccnc3nc(C4CCOCC4)[nH]c23)CC1.
What is the InChIKey of (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
The InChIKey is CRQDHXGGOWBFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c26-22-21(28-18-3-1-2-4-19(18)29-22)25(33)32-11-6-15(7-12-32)17-5-10-27-24-20(17)30-23(31-24)16-8-13-34-14-9-16/h1-5,10,15-16H,6-9,11-14H2,(H2,26,29)(H,27,30,31).
What are the key properties of (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone?
(3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone has a molecular weight of 457.54 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoquinoxalin-2-yl)-[4-[2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 170734256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).