4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine

C18H16N8O — CID 131967732

IUPAC4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccncc1)c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C18H16N8O/c1-27-14-7-12-11(8-24-26-12)6-13(14)25-18-15(17(20)22-9-23-18)16(19)10-2-4-21-5-3-10/h2-9,19H,1H3,(H,24,26)(H3,20,22,23,25)/b19-16+
InChIKeyLAFZPVQRJVVHBO-KNTRCKAVSA-N
MW360.38 g/mol
LogP2.50
Rot. Bonds5

About 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine

4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine (PubChem CID 131967732) has the molecular formula C18H16N8O and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
PubChem CID131967732
Molecular FormulaC18H16N8O
Molecular Weight360.38 g/mol
Exact Mass360.14
IUPAC Name4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccncc1)c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC
InChIInChI=1S/C18H16N8O/c1-27-14-7-12-11(8-24-26-12)6-13(14)25-18-15(17(20)22-9-23-18)16(19)10-2-4-21-5-3-10/h2-9,19H,1H3,(H,24,26)(H3,20,22,23,25)/b19-16+
InChIKeyLAFZPVQRJVVHBO-KNTRCKAVSA-N
XLogP2.50
TPSA138.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine (CID 131967732) is 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine is [H]/N=C(\c1ccncc1)c1c(N)ncnc1Nc1cc2cn[nH]c2cc1OC.
What is the InChIKey of 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine?
The InChIKey is LAFZPVQRJVVHBO-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H16N8O/c1-27-14-7-12-11(8-24-26-12)6-13(14)25-18-15(17(20)22-9-23-18)16(19)10-2-4-21-5-3-10/h2-9,19H,1H3,(H,24,26)(H3,20,22,23,25)/b19-16+.
What are the key properties of 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine?
4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine has a molecular weight of 360.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 131967732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).