6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine

C19H15ClN4O — CID 10066515

IUPAC6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)n1
InChIInChI=1S/C19H15ClN4O/c1-25-18-9-5-8-17(21-18)22-19-14-10-13(12-6-3-2-4-7-12)15(20)11-16(14)23-24-19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyCZIPJQLAWABIFL-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.03
Rot. Bonds4

About 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine

6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine (PubChem CID 10066515) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
PubChem CID10066515
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine
SMILESCOc1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)n1
InChIInChI=1S/C19H15ClN4O/c1-25-18-9-5-8-17(21-18)22-19-14-10-13(12-6-3-2-4-7-12)15(20)11-16(14)23-24-19/h2-11H,1H3,(H2,21,22,23,24)
InChIKeyCZIPJQLAWABIFL-UHFFFAOYSA-N
XLogP5.03
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine (CID 10066515) is 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine is COc1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)n1.
What is the InChIKey of 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
The InChIKey is CZIPJQLAWABIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-25-18-9-5-8-17(21-18)22-19-14-10-13(12-6-3-2-4-7-12)15(20)11-16(14)23-24-19/h2-11H,1H3,(H2,21,22,23,24).
What are the key properties of 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine?
6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine has a molecular weight of 350.81 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-methoxy-2-pyridinyl)-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 10066515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).