5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile

C23H20N6O2 — CID 118537386

IUPAC5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C23H20N6O2/c24-11-15-9-14(1-2-21(15)31-16-4-7-30-8-5-16)17-3-6-27-23-18(17)10-19(29-23)20-12-26-13-22(25)28-20/h1-3,6,9-10,12-13,16H,4-5,7-8H2,(H2,25,28)(H,27,29)
InChIKeyAQKBMEOCVCVMRP-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.70
Rot. Bonds4

About 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile

5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 118537386) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID118537386
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C23H20N6O2/c24-11-15-9-14(1-2-21(15)31-16-4-7-30-8-5-16)17-3-6-27-23-18(17)10-19(29-23)20-12-26-13-22(25)28-20/h1-3,6,9-10,12-13,16H,4-5,7-8H2,(H2,25,28)(H,27,29)
InChIKeyAQKBMEOCVCVMRP-UHFFFAOYSA-N
XLogP3.70
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Gdc-0425
CID 58266779
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-(2-Hydroxyphenyl)-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44546231
6-Amino-2-(4-fluorophenyl)-4-benzyloxy-3-(4-pyridyl)-1h-pyrrolo[2,3-b]pyridine
CID 10386848
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
3-(1H-indol-5-yl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179289
6-(3-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647772
6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162667638

Frequently Asked Questions

What is the IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 118537386) is 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc3[nH]c(-c4cncc(N)n4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is AQKBMEOCVCVMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c24-11-15-9-14(1-2-21(15)31-16-4-7-30-8-5-16)17-3-6-27-23-18(17)10-19(29-23)20-12-26-13-22(25)28-20/h1-3,6,9-10,12-13,16H,4-5,7-8H2,(H2,25,28)(H,27,29).
What are the key properties of 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 412.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 118537386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).