N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine

C24H26N4 — CID 87016623

IUPACN-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
SMILESCc1nn(C)c2ncc(CN(CCc3ccccc3)Cc3ccccc3)cc12
InChIInChI=1S/C24H26N4/c1-19-23-15-22(16-25-24(23)27(2)26-19)18-28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,15-16H,13-14,17-18H2,1-2H3
InChIKeyDCYJLMGFPGZFFI-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.52
Rot. Bonds7

About N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine

N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine (PubChem CID 87016623) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
PubChem CID87016623
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC NameN-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine
SMILESCc1nn(C)c2ncc(CN(CCc3ccccc3)Cc3ccccc3)cc12
InChIInChI=1S/C24H26N4/c1-19-23-15-22(16-25-24(23)27(2)26-19)18-28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,15-16H,13-14,17-18H2,1-2H3
InChIKeyDCYJLMGFPGZFFI-UHFFFAOYSA-N
XLogP4.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine (CID 87016623) is N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine is Cc1nn(C)c2ncc(CN(CCc3ccccc3)Cc3ccccc3)cc12.
What is the InChIKey of N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine?
The InChIKey is DCYJLMGFPGZFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-19-23-15-22(16-25-24(23)27(2)26-19)18-28(17-21-11-7-4-8-12-21)14-13-20-9-5-3-6-10-20/h3-12,15-16H,13-14,17-18H2,1-2H3.
What are the key properties of N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine?
N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine has a molecular weight of 370.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 87016623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).