3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide

C20H18N4O2 — CID 75402519

IUPAC3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc4ccccc4cc3O)cnc21
InChIInChI=1S/C20H18N4O2/c1-12(2)24-19-15(10-22-24)7-16(11-21-19)23-20(26)17-8-13-5-3-4-6-14(13)9-18(17)25/h3-12,25H,1-2H3,(H,23,26)
InChIKeyQBCVZFRBVGXWIK-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.12
Rot. Bonds3

About 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide

3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide (PubChem CID 75402519) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide
PubChem CID75402519
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3cc4ccccc4cc3O)cnc21
InChIInChI=1S/C20H18N4O2/c1-12(2)24-19-15(10-22-24)7-16(11-21-19)23-20(26)17-8-13-5-3-4-6-14(13)9-18(17)25/h3-12,25H,1-2H3,(H,23,26)
InChIKeyQBCVZFRBVGXWIK-UHFFFAOYSA-N
XLogP4.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide (CID 75402519) is 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide is CC(C)n1ncc2cc(NC(=O)c3cc4ccccc4cc3O)cnc21.
What is the InChIKey of 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide?
The InChIKey is QBCVZFRBVGXWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(2)24-19-15(10-22-24)7-16(11-21-19)23-20(26)17-8-13-5-3-4-6-14(13)9-18(17)25/h3-12,25H,1-2H3,(H,23,26).
What are the key properties of 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide?
3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 75402519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).