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

C19H17N5 — CID 172571090

IUPAC5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCc4ccccc4)c3)cc12
InChIInChI=1S/C19H17N5/c20-19-16-10-14(6-7-17(16)23-24-19)15-8-9-21-18(11-15)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)(H3,20,23,24)
InChIKeyLIAWAQVLDJJIKF-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.82
Rot. Bonds4

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

5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 172571090) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
PubChem CID172571090
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc(-c3ccnc(NCc4ccccc4)c3)cc12
InChIInChI=1S/C19H17N5/c20-19-16-10-14(6-7-17(16)23-24-19)15-8-9-21-18(11-15)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)(H3,20,23,24)
InChIKeyLIAWAQVLDJJIKF-UHFFFAOYSA-N
XLogP3.82
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine (CID 172571090) is 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine is Nc1n[nH]c2ccc(-c3ccnc(NCc4ccccc4)c3)cc12.
What is the InChIKey of 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is LIAWAQVLDJJIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-19-16-10-14(6-7-17(16)23-24-19)15-8-9-21-18(11-15)22-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22)(H3,20,23,24).
What are the key properties of 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine?
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 315.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 172571090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).