5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine

C19H18N6 — CID 172571058

IUPAC5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCCc4ccncc4)c3)cc12
InChIInChI=1S/C19H18N6/c20-19-16-11-14(1-2-17(16)24-25-19)15-6-10-23-18(12-15)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,23)(H3,20,24,25)
InChIKeyRPALFYOQBJQXED-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine

5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 172571058) has the molecular formula C19H18N6 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
PubChem CID172571058
Molecular FormulaC19H18N6
Molecular Weight330.39 g/mol
Exact Mass330.16
IUPAC Name5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCCc4ccncc4)c3)cc12
InChIInChI=1S/C19H18N6/c20-19-16-11-14(1-2-17(16)24-25-19)15-6-10-23-18(12-15)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,23)(H3,20,24,25)
InChIKeyRPALFYOQBJQXED-UHFFFAOYSA-N
XLogP3.26
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine (CID 172571058) is 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc(NCCc4ccncc4)c3)cc12.
What is the InChIKey of 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is RPALFYOQBJQXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-19-16-11-14(1-2-17(16)24-25-19)15-6-10-23-18(12-15)22-9-5-13-3-7-21-8-4-13/h1-4,6-8,10-12H,5,9H2,(H,22,23)(H3,20,24,25).
What are the key properties of 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine?
5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 330.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 172571058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).