6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

C20H12Cl2N6O — CID 59436022

IUPAC6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(-c4ccn[nH]4)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyVINIUFYOSWAWBQ-UHFFFAOYSA-N
MW423.26 g/mol
LogP4.91
Rot. Bonds3

About 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one

6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (PubChem CID 59436022) has the molecular formula C20H12Cl2N6O and a molecular weight of 423.26 g/mol. Its IUPAC name is 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
PubChem CID59436022
Molecular FormulaC20H12Cl2N6O
Molecular Weight423.26 g/mol
Exact Mass422.04
IUPAC Name6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
SMILESO=c1[nH]ccc2c(Nc3c(Cl)cc(-c4ccn[nH]4)cc3Cl)nc3ccncc3c12
InChIInChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27)
InChIKeyVINIUFYOSWAWBQ-UHFFFAOYSA-N
XLogP4.91
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.26
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The IUPAC name of 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one (CID 59436022) is 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one.
What is the SMILES notation for 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The canonical SMILES for 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is O=c1[nH]ccc2c(Nc3c(Cl)cc(-c4ccn[nH]4)cc3Cl)nc3ccncc3c12.
What is the InChIKey of 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
The InChIKey is VINIUFYOSWAWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one?
6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one has a molecular weight of 423.26 g/mol, XLogP of 4.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-dichloro-4-(1H-pyrazol-5-yl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one is sourced from PubChem (CID 59436022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).