3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine

C19H17N5O — CID 71042526

IUPAC3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4cnn(C)c4c3)cnc2N)cn1
InChIInChI=1S/C19H17N5O/c1-24-17-8-12(3-4-14(17)11-23-24)15-7-16(19(20)22-10-15)13-5-6-18(25-2)21-9-13/h3-11H,1-2H3,(H2,20,22)
InChIKeyJRLWKISVWPHNDD-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.29
Rot. Bonds3

About 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine

3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine (PubChem CID 71042526) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine
PubChem CID71042526
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine
SMILESCOc1ccc(-c2cc(-c3ccc4cnn(C)c4c3)cnc2N)cn1
InChIInChI=1S/C19H17N5O/c1-24-17-8-12(3-4-14(17)11-23-24)15-7-16(19(20)22-10-15)13-5-6-18(25-2)21-9-13/h3-11H,1-2H3,(H2,20,22)
InChIKeyJRLWKISVWPHNDD-UHFFFAOYSA-N
XLogP3.29
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine (CID 71042526) is 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine is COc1ccc(-c2cc(-c3ccc4cnn(C)c4c3)cnc2N)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine?
The InChIKey is JRLWKISVWPHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-24-17-8-12(3-4-14(17)11-23-24)15-7-16(19(20)22-10-15)13-5-6-18(25-2)21-9-13/h3-11H,1-2H3,(H2,20,22).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine?
3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine has a molecular weight of 331.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-5-(1-methylindazol-6-yl)pyridin-2-amine is sourced from PubChem (CID 71042526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).