5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine

C25H23N5O — CID 118059391

IUPAC5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(N)nc3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C25H23N5O/c1-15-24(17(3)31-29-15)20-11-22-25(28-13-20)21(19-9-10-23(26)27-12-19)14-30(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H2,26,27)
InChIKeyDNIQHDQNZONGIB-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.56
Rot. Bonds4

About 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine

5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine (PubChem CID 118059391) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
PubChem CID118059391
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine
SMILESCc1noc(C)c1-c1cnc2c(-c3ccc(N)nc3)cn(C(C)c3ccccc3)c2c1
InChIInChI=1S/C25H23N5O/c1-15-24(17(3)31-29-15)20-11-22-25(28-13-20)21(19-9-10-23(26)27-12-19)14-30(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H2,26,27)
InChIKeyDNIQHDQNZONGIB-UHFFFAOYSA-N
XLogP5.56
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine (CID 118059391) is 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine is Cc1noc(C)c1-c1cnc2c(-c3ccc(N)nc3)cn(C(C)c3ccccc3)c2c1.
What is the InChIKey of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine?
The InChIKey is DNIQHDQNZONGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-15-24(17(3)31-29-15)20-11-22-25(28-13-20)21(19-9-10-23(26)27-12-19)14-30(22)16(2)18-7-5-4-6-8-18/h4-14,16H,1-3H3,(H2,26,27).
What are the key properties of 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine?
5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine has a molecular weight of 409.49 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)pyrrolo[3,2-b]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 118059391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).