azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine

C24H27N5 — CID 175578054

IUPACazane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESN.c1ccc(CC2(Cc3ccccc3)CCCN2c2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C24H24N4.H3N/c1-3-8-19(9-4-1)16-24(17-20-10-5-2-6-11-20)13-7-15-28(24)22-12-14-25-23-21(22)18-26-27-23;/h1-6,8-12,14,18H,7,13,15-17H2,(H,25,26,27);1H3
InChIKeyQVNDTXLYCKCMNR-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.94
Rot. Bonds5

About azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine

azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine (PubChem CID 175578054) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Nameazane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
PubChem CID175578054
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Nameazane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine
SMILESN.c1ccc(CC2(Cc3ccccc3)CCCN2c2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C24H24N4.H3N/c1-3-8-19(9-4-1)16-24(17-20-10-5-2-6-11-20)13-7-15-28(24)22-12-14-25-23-21(22)18-26-27-23;/h1-6,8-12,14,18H,7,13,15-17H2,(H,25,26,27);1H3
InChIKeyQVNDTXLYCKCMNR-UHFFFAOYSA-N
XLogP4.94
TPSA79.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine (CID 175578054) is azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine is N.c1ccc(CC2(Cc3ccccc3)CCCN2c2ccnc3[nH]ncc23)cc1.
What is the InChIKey of azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is QVNDTXLYCKCMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4.H3N/c1-3-8-19(9-4-1)16-24(17-20-10-5-2-6-11-20)13-7-15-28(24)22-12-14-25-23-21(22)18-26-27-23;/h1-6,8-12,14,18H,7,13,15-17H2,(H,25,26,27);1H3.
What are the key properties of azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine?
azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 385.52 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-(2,2-dibenzylpyrrolidin-1-yl)-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 175578054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).