4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine

C20H23N5O — CID 141362088

IUPAC4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
SMILESc1ccn2cc(CCN3Cc4nccc(N5CCOCC5)c4C3)nc2c1
InChIInChI=1S/C20H23N5O/c1-2-7-25-13-16(22-20(25)3-1)5-8-23-14-17-18(15-23)21-6-4-19(17)24-9-11-26-12-10-24/h1-4,6-7,13H,5,8-12,14-15H2
InChIKeyHGGJZCGECZXBEC-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.12
Rot. Bonds4

About 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine

4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine (PubChem CID 141362088) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
PubChem CID141362088
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
SMILESc1ccn2cc(CCN3Cc4nccc(N5CCOCC5)c4C3)nc2c1
InChIInChI=1S/C20H23N5O/c1-2-7-25-13-16(22-20(25)3-1)5-8-23-14-17-18(15-23)21-6-4-19(17)24-9-11-26-12-10-24/h1-4,6-7,13H,5,8-12,14-15H2
InChIKeyHGGJZCGECZXBEC-UHFFFAOYSA-N
XLogP2.12
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine (CID 141362088) is 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine is c1ccn2cc(CCN3Cc4nccc(N5CCOCC5)c4C3)nc2c1.
What is the InChIKey of 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine?
The InChIKey is HGGJZCGECZXBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-7-25-13-16(22-20(25)3-1)5-8-23-14-17-18(15-23)21-6-4-19(17)24-9-11-26-12-10-24/h1-4,6-7,13H,5,8-12,14-15H2.
What are the key properties of 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine?
4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine has a molecular weight of 349.44 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine is sourced from PubChem (CID 141362088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).