4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

C26H24N4O2 — CID 118059812

IUPAC4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1
InChIInChI=1S/C26H24N4O2/c1-16-25(18(3)32-29-16)21-12-23-26(28-14-21)22(20-10-11-24(31-4)27-13-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3
InChIKeyDNEAOKOEBSHXSZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.99
Rot. Bonds5

About 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole

4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118059812) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID118059812
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1
InChIInChI=1S/C26H24N4O2/c1-16-25(18(3)32-29-16)21-12-23-26(28-14-21)22(20-10-11-24(31-4)27-13-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3
InChIKeyDNEAOKOEBSHXSZ-UHFFFAOYSA-N
XLogP5.99
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

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7-(3,5-dimethyl-4-isoxazolyl)-8-(methyloxy)-1-[(1S)-1-(2-pyridinyl)ethyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole (CID 118059812) is 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2cn(C(C)c3ccccc3)c3cc(-c4c(C)noc4C)cnc23)cn1.
What is the InChIKey of 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is DNEAOKOEBSHXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-16-25(18(3)32-29-16)21-12-23-26(28-14-21)22(20-10-11-24(31-4)27-13-20)15-30(23)17(2)19-8-6-5-7-9-19/h5-15,17H,1-4H3.
What are the key properties of 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 424.50 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxy-3-pyridinyl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118059812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).