8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine

C25H24N8 — CID 155521295

IUPAC8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1nn(C)c3ccccc13)CC2
InChIInChI=1S/C25H24N8/c1-15-29-30-24-12-9-20(28-25-18-5-3-4-6-21(18)32(2)31-25)19-13-16(7-10-22(19)33(15)24)17-8-11-23(26)27-14-17/h3-8,10-11,13-14,20H,9,12H2,1-2H3,(H2,26,27)(H,28,31)
InChIKeyMUMNSNIYPROWMF-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.21
Rot. Bonds3

About 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine

8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (PubChem CID 155521295) has the molecular formula C25H24N8 and a molecular weight of 436.52 g/mol. Its IUPAC name is 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.

Molecular Properties

Compound Name8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
PubChem CID155521295
Molecular FormulaC25H24N8
Molecular Weight436.52 g/mol
Exact Mass436.21
IUPAC Name8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine
SMILESCc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1nn(C)c3ccccc13)CC2
InChIInChI=1S/C25H24N8/c1-15-29-30-24-12-9-20(28-25-18-5-3-4-6-21(18)32(2)31-25)19-13-16(7-10-22(19)33(15)24)17-8-11-23(26)27-14-17/h3-8,10-11,13-14,20H,9,12H2,1-2H3,(H2,26,27)(H,28,31)
InChIKeyMUMNSNIYPROWMF-UHFFFAOYSA-N
XLogP4.21
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The IUPAC name of 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine (CID 155521295) is 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine.
What is the SMILES notation for 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The canonical SMILES for 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is Cc1nnc2n1-c1ccc(-c3ccc(N)nc3)cc1C(Nc1nn(C)c3ccccc13)CC2.
What is the InChIKey of 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
The InChIKey is MUMNSNIYPROWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8/c1-15-29-30-24-12-9-20(28-25-18-5-3-4-6-21(18)32(2)31-25)19-13-16(7-10-22(19)33(15)24)17-8-11-23(26)27-14-17/h3-8,10-11,13-14,20H,9,12H2,1-2H3,(H2,26,27)(H,28,31).
What are the key properties of 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine?
8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine has a molecular weight of 436.52 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-3-pyridinyl)-1-methyl-N-(1-methylindazol-3-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine is sourced from PubChem (CID 155521295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).