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

C24H24N4O4 — CID 118537380

IUPAC5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H24N4O4/c25-15-17-13-16(1-2-22(17)32-18-4-9-30-10-5-18)19-3-6-26-23-20(19)14-21(27-23)24(29)28-7-11-31-12-8-28/h1-3,6,13-14,18H,4-5,7-12H2,(H,26,27)
InChIKeyRMTFITAOVDYEPI-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.13
Rot. Bonds4

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

5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (PubChem CID 118537380) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.

Molecular Properties

Compound Name5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
PubChem CID118537380
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile
SMILESN#Cc1cc(-c2ccnc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1
InChIInChI=1S/C24H24N4O4/c25-15-17-13-16(1-2-22(17)32-18-4-9-30-10-5-18)19-3-6-26-23-20(19)14-21(27-23)24(29)28-7-11-31-12-8-28/h1-3,6,13-14,18H,4-5,7-12H2,(H,26,27)
InChIKeyRMTFITAOVDYEPI-UHFFFAOYSA-N
XLogP3.13
TPSA100.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The IUPAC name of 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile (CID 118537380) is 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile.
What is the SMILES notation for 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The canonical SMILES for 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is N#Cc1cc(-c2ccnc3[nH]c(C(=O)N4CCOCC4)cc23)ccc1OC1CCOCC1.
What is the InChIKey of 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
The InChIKey is RMTFITAOVDYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c25-15-17-13-16(1-2-22(17)32-18-4-9-30-10-5-18)19-3-6-26-23-20(19)14-21(27-23)24(29)28-7-11-31-12-8-28/h1-3,6,13-14,18H,4-5,7-12H2,(H,26,27).
What are the key properties of 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile?
5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile has a molecular weight of 432.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(morpholine-4-carbonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile is sourced from PubChem (CID 118537380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).