1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

C17H17N5O2 — CID 138024041

IUPAC1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCOc1ccc2c(n1)N(C(=O)Cn1nc(C)c3cccnc31)CC2
InChIInChI=1S/C17H17N5O2/c1-11-13-4-3-8-18-17(13)22(20-11)10-15(23)21-9-7-12-5-6-14(24-2)19-16(12)21/h3-6,8H,7,9-10H2,1-2H3
InChIKeyUYZDMYSQJJJSHD-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.73
Rot. Bonds3

About 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone

1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (PubChem CID 138024041) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
PubChem CID138024041
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
SMILESCOc1ccc2c(n1)N(C(=O)Cn1nc(C)c3cccnc31)CC2
InChIInChI=1S/C17H17N5O2/c1-11-13-4-3-8-18-17(13)22(20-11)10-15(23)21-9-7-12-5-6-14(24-2)19-16(12)21/h3-6,8H,7,9-10H2,1-2H3
InChIKeyUYZDMYSQJJJSHD-UHFFFAOYSA-N
XLogP1.73
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The IUPAC name of 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone (CID 138024041) is 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The canonical SMILES for 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is COc1ccc2c(n1)N(C(=O)Cn1nc(C)c3cccnc31)CC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
The InChIKey is UYZDMYSQJJJSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-13-4-3-8-18-17(13)22(20-11)10-15(23)21-9-7-12-5-6-14(24-2)19-16(12)21/h3-6,8H,7,9-10H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone?
1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone has a molecular weight of 323.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone is sourced from PubChem (CID 138024041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).