2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol

C23H26N6O3 — CID 168773267

IUPAC2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol
SMILESCOc1nc(NC2CCC(OCCO)CC2)nc2[nH]cc(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C23H26N6O3/c1-31-22-20-17(14-2-7-18-19(12-14)25-9-8-24-18)13-26-21(20)28-23(29-22)27-15-3-5-16(6-4-15)32-11-10-30/h2,7-9,12-13,15-16,30H,3-6,10-11H2,1H3,(H2,26,27,28,29)
InChIKeyBZNNEYOMKFWRSC-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.31
Rot. Bonds7

About 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol

2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol (PubChem CID 168773267) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol
PubChem CID168773267
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol
SMILESCOc1nc(NC2CCC(OCCO)CC2)nc2[nH]cc(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C23H26N6O3/c1-31-22-20-17(14-2-7-18-19(12-14)25-9-8-24-18)13-26-21(20)28-23(29-22)27-15-3-5-16(6-4-15)32-11-10-30/h2,7-9,12-13,15-16,30H,3-6,10-11H2,1H3,(H2,26,27,28,29)
InChIKeyBZNNEYOMKFWRSC-UHFFFAOYSA-N
XLogP3.31
TPSA118.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol (CID 168773267) is 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol is COc1nc(NC2CCC(OCCO)CC2)nc2[nH]cc(-c3ccc4nccnc4c3)c12.
What is the InChIKey of 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol?
The InChIKey is BZNNEYOMKFWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-31-22-20-17(14-2-7-18-19(12-14)25-9-8-24-18)13-26-21(20)28-23(29-22)27-15-3-5-16(6-4-15)32-11-10-30/h2,7-9,12-13,15-16,30H,3-6,10-11H2,1H3,(H2,26,27,28,29).
What are the key properties of 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol?
2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol has a molecular weight of 434.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-5-quinoxalin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]cyclohexyl]oxyethanol is sourced from PubChem (CID 168773267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).