1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one

C17H21N7O — CID 155956444

IUPAC1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]nc2ncc(CNc3cnn(CCN4CCCC4=O)c3)cc12
InChIInChI=1S/C17H21N7O/c1-12-15-7-13(9-19-17(15)22-21-12)8-18-14-10-20-24(11-14)6-5-23-4-2-3-16(23)25/h7,9-11,18H,2-6,8H2,1H3,(H,19,21,22)
InChIKeySMVVNAYABQSGIZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.70
Rot. Bonds6

About 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 155956444) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one
PubChem CID155956444
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one
SMILESCc1[nH]nc2ncc(CNc3cnn(CCN4CCCC4=O)c3)cc12
InChIInChI=1S/C17H21N7O/c1-12-15-7-13(9-19-17(15)22-21-12)8-18-14-10-20-24(11-14)6-5-23-4-2-3-16(23)25/h7,9-11,18H,2-6,8H2,1H3,(H,19,21,22)
InChIKeySMVVNAYABQSGIZ-UHFFFAOYSA-N
XLogP1.70
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one (CID 155956444) is 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one is Cc1[nH]nc2ncc(CNc3cnn(CCN4CCCC4=O)c3)cc12.
What is the InChIKey of 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is SMVVNAYABQSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-12-15-7-13(9-19-17(15)22-21-12)8-18-14-10-20-24(11-14)6-5-23-4-2-3-16(23)25/h7,9-11,18H,2-6,8H2,1H3,(H,19,21,22).
What are the key properties of 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 339.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methylamino]pyrazol-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 155956444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).