1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

C24H22N8O — CID 123456125

IUPAC1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(-c2cnn3c(N4CCOCC4)cc(/N=N/Cc4c[nH]c5ccccc45)nc23)nc1
InChIInChI=1S/C24H22N8O/c1-2-6-20-18(5-1)17(14-26-20)15-27-30-22-13-23(31-9-11-33-12-10-31)32-24(29-22)19(16-28-32)21-7-3-4-8-25-21/h1-8,13-14,16,26H,9-12,15H2/b30-27+
InChIKeyGQBVEYFGKQVIGM-KDJFERLWSA-N
MW438.50 g/mol
LogP4.39
Rot. Bonds5

About 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene

1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (PubChem CID 123456125) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.

Molecular Properties

Compound Name1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
PubChem CID123456125
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC Name1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
SMILESc1ccc(-c2cnn3c(N4CCOCC4)cc(/N=N/Cc4c[nH]c5ccccc45)nc23)nc1
InChIInChI=1S/C24H22N8O/c1-2-6-20-18(5-1)17(14-26-20)15-27-30-22-13-23(31-9-11-33-12-10-31)32-24(29-22)19(16-28-32)21-7-3-4-8-25-21/h1-8,13-14,16,26H,9-12,15H2/b30-27+
InChIKeyGQBVEYFGKQVIGM-KDJFERLWSA-N
XLogP4.39
TPSA96.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The IUPAC name of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene (CID 123456125) is 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene.
What is the SMILES notation for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The canonical SMILES for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is c1ccc(-c2cnn3c(N4CCOCC4)cc(/N=N/Cc4c[nH]c5ccccc45)nc23)nc1.
What is the InChIKey of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
The InChIKey is GQBVEYFGKQVIGM-KDJFERLWSA-N. The full InChI is InChI=1S/C24H22N8O/c1-2-6-20-18(5-1)17(14-26-20)15-27-30-22-13-23(31-9-11-33-12-10-31)32-24(29-22)19(16-28-32)21-7-3-4-8-25-21/h1-8,13-14,16,26H,9-12,15H2/b30-27+.
What are the key properties of 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene?
1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene has a molecular weight of 438.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethyl-(7-morpholin-4-yl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene is sourced from PubChem (CID 123456125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).