N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide

C20H18N4O — CID 6539549

IUPACN-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H18N4O/c1-2-5-18(25)22-20-17-11-16(12-21-19(17)23-24-20)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-12H,2,5H2,1H3,(H2,21,22,23,24,25)
InChIKeyABQLVQSYGVOLAD-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.52
Rot. Bonds4

About N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide

N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (PubChem CID 6539549) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
PubChem CID6539549
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
SMILESCCCC(=O)Nc1[nH]nc2ncc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C20H18N4O/c1-2-5-18(25)22-20-17-11-16(12-21-19(17)23-24-20)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-12H,2,5H2,1H3,(H2,21,22,23,24,25)
InChIKeyABQLVQSYGVOLAD-UHFFFAOYSA-N
XLogP4.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The IUPAC name of N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide (CID 6539549) is N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide.
What is the SMILES notation for N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The canonical SMILES for N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is CCCC(=O)Nc1[nH]nc2ncc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
The InChIKey is ABQLVQSYGVOLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-5-18(25)22-20-17-11-16(12-21-19(17)23-24-20)15-9-8-13-6-3-4-7-14(13)10-15/h3-4,6-12H,2,5H2,1H3,(H2,21,22,23,24,25).
What are the key properties of N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide?
N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide has a molecular weight of 330.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide is sourced from PubChem (CID 6539549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).