[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C22H26N4O — CID 136515149

IUPAC[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C22H26N4O/c1-14(2)26-21-17(13-24-26)11-18(12-23-21)22(27)25-9-5-6-20(25)19-10-15(3)7-8-16(19)4/h7-8,10-14,20H,5-6,9H2,1-4H3
InChIKeySAVVQBNIYGASOC-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.61
Rot. Bonds3

About [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 136515149) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID136515149
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C22H26N4O/c1-14(2)26-21-17(13-24-26)11-18(12-23-21)22(27)25-9-5-6-20(25)19-10-15(3)7-8-16(19)4/h7-8,10-14,20H,5-6,9H2,1-4H3
InChIKeySAVVQBNIYGASOC-UHFFFAOYSA-N
XLogP4.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 136515149) is [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is Cc1ccc(C)c(C2CCCN2C(=O)c2cnc3c(cnn3C(C)C)c2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is SAVVQBNIYGASOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-14(2)26-21-17(13-24-26)11-18(12-23-21)22(27)25-9-5-6-20(25)19-10-15(3)7-8-16(19)4/h7-8,10-14,20H,5-6,9H2,1-4H3.
What are the key properties of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 362.48 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 136515149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).