[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

C17H23N5O — CID 128850011

IUPAC[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12
InChIInChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyYDHLVOJYXSZAAF-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.73
Rot. Bonds2

About [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 128850011) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID128850011
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12
InChIInChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3
InChIKeyYDHLVOJYXSZAAF-UHFFFAOYSA-N
XLogP1.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 128848800
[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166600752
[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602561
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
3-methyl-6-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pyrimidin-4-one
CID 166600731
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
(4-quinolin-4-ylpiperazin-1-yl)-[(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166173255
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602453
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
[1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56880421

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone (CID 128850011) is [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nn(C)c2nccc(N3CCC(C(=O)N4CCCC4)C3)c12.
What is the InChIKey of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YDHLVOJYXSZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-15-14(5-7-18-16(15)20(2)19-12)22-10-6-13(11-22)17(23)21-8-3-4-9-21/h5,7,13H,3-4,6,8-11H2,1-2H3.
What are the key properties of [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 128850011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).