1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one

C16H18N6O2 — CID 136522021

IUPAC1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1cc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-20-9-10(6-18-20)13-4-3-5-22(13)16(24)12-7-17-15-11(14(12)23)8-19-21(15)2/h6-9,13H,3-5H2,1-2H3,(H,17,23)
InChIKeyZYPOWBCHLYIFML-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one

1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 136522021) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID136522021
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCn1cc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cn1
InChIInChI=1S/C16H18N6O2/c1-20-9-10(6-18-20)13-4-3-5-22(13)16(24)12-7-17-15-11(14(12)23)8-19-21(15)2/h6-9,13H,3-5H2,1-2H3,(H,17,23)
InChIKeyZYPOWBCHLYIFML-UHFFFAOYSA-N
XLogP0.97
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one (CID 136522021) is 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one is Cn1cc(C2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)cn1.
What is the InChIKey of 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZYPOWBCHLYIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-20-9-10(6-18-20)13-4-3-5-22(13)16(24)12-7-17-15-11(14(12)23)8-19-21(15)2/h6-9,13H,3-5H2,1-2H3,(H,17,23).
What are the key properties of 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one?
1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 326.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 136522021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).