[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone

C19H20N4O2 — CID 118740450

IUPAC[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C19H20N4O2/c1-22-18-15(12-20-22)14(19(24)23-9-5-6-10-23)11-16(21-18)13-7-3-4-8-17(13)25-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyRVRRJLMWTLGGCK-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.88
Rot. Bonds3

About [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone

[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118740450) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID118740450
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C)c2n1
InChIInChI=1S/C19H20N4O2/c1-22-18-15(12-20-22)14(19(24)23-9-5-6-10-23)11-16(21-18)13-7-3-4-8-17(13)25-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyRVRRJLMWTLGGCK-UHFFFAOYSA-N
XLogP2.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone (CID 118740450) is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1-c1cc(C(=O)N2CCCC2)c2cnn(C)c2n1.
What is the InChIKey of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RVRRJLMWTLGGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-22-18-15(12-20-22)14(19(24)23-9-5-6-10-23)11-16(21-18)13-7-3-4-8-17(13)25-2/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3.
What are the key properties of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone?
[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118740450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).