5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine

C19H14N6 — CID 140798264

IUPAC5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
SMILES[C-]#[N+]Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1
InChIInChI=1S/C19H14N6/c1-21-12-17-3-2-4-19(24-17)25-18-8-13(5-6-14(18)10-23-25)15-7-16(20)11-22-9-15/h2-11H,12,20H2
InChIKeyUTUOYXWOBQLWDV-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.48
Rot. Bonds3

About 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine

5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine (PubChem CID 140798264) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
PubChem CID140798264
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
SMILES[C-]#[N+]Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1
InChIInChI=1S/C19H14N6/c1-21-12-17-3-2-4-19(24-17)25-18-8-13(5-6-14(18)10-23-25)15-7-16(20)11-22-9-15/h2-11H,12,20H2
InChIKeyUTUOYXWOBQLWDV-UHFFFAOYSA-N
XLogP3.48
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine?
The IUPAC name of 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine (CID 140798264) is 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine.
What is the SMILES notation for 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine?
The canonical SMILES for 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine is [C-]#[N+]Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.
What is the InChIKey of 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine?
The InChIKey is UTUOYXWOBQLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-21-12-17-3-2-4-19(24-17)25-18-8-13(5-6-14(18)10-23-25)15-7-16(20)11-22-9-15/h2-11H,12,20H2.
What are the key properties of 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine?
5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine has a molecular weight of 326.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[6-(isocyanomethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine is sourced from PubChem (CID 140798264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).