N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide

C23H15BrN4O2 — CID 59813514

IUPACN-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2cc(Oc3ccnc4[nH]ncc34)ccc12
InChIInChI=1S/C23H15BrN4O2/c24-15-4-6-16(7-5-15)27-23(29)19-3-1-2-14-12-17(8-9-18(14)19)30-21-10-11-25-22-20(21)13-26-28-22/h1-13H,(H,27,29)(H,25,26,28)
InChIKeySKMXYMWQSRNXHR-UHFFFAOYSA-N
MW459.30 g/mol
LogP5.92
Rot. Bonds4

About N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide

N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide (PubChem CID 59813514) has the molecular formula C23H15BrN4O2 and a molecular weight of 459.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide
PubChem CID59813514
Molecular FormulaC23H15BrN4O2
Molecular Weight459.30 g/mol
Exact Mass458.04
IUPAC NameN-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc2cc(Oc3ccnc4[nH]ncc34)ccc12
InChIInChI=1S/C23H15BrN4O2/c24-15-4-6-16(7-5-15)27-23(29)19-3-1-2-14-12-17(8-9-18(14)19)30-21-10-11-25-22-20(21)13-26-28-22/h1-13H,(H,27,29)(H,25,26,28)
InChIKeySKMXYMWQSRNXHR-UHFFFAOYSA-N
XLogP5.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.30
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide (CID 59813514) is N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide is O=C(Nc1ccc(Br)cc1)c1cccc2cc(Oc3ccnc4[nH]ncc34)ccc12.
What is the InChIKey of N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
The InChIKey is SKMXYMWQSRNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O2/c24-15-4-6-16(7-5-15)27-23(29)19-3-1-2-14-12-17(8-9-18(14)19)30-21-10-11-25-22-20(21)13-26-28-22/h1-13H,(H,27,29)(H,25,26,28).
What are the key properties of N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide?
N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide has a molecular weight of 459.30 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)naphthalene-1-carboxamide is sourced from PubChem (CID 59813514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).