N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide

C27H29N7O3 — CID 90176070

IUPACN-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)nc(Oc4ccccc4)nc23)cc1
InChIInChI=1S/C27H29N7O3/c35-25(30-21-10-11-21)20-8-6-19(7-9-20)23-18-29-34-24(23)31-27(37-22-4-2-1-3-5-22)32-26(34)28-12-13-33-14-16-36-17-15-33/h1-9,18,21H,10-17H2,(H,30,35)(H,28,31,32)
InChIKeySUPPRUPSPZTWMR-UHFFFAOYSA-N
MW499.58 g/mol
LogP3.22
Rot. Bonds9

About N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide

N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide (PubChem CID 90176070) has the molecular formula C27H29N7O3 and a molecular weight of 499.58 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide
PubChem CID90176070
Molecular FormulaC27H29N7O3
Molecular Weight499.58 g/mol
Exact Mass499.23
IUPAC NameN-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)nc(Oc4ccccc4)nc23)cc1
InChIInChI=1S/C27H29N7O3/c35-25(30-21-10-11-21)20-8-6-19(7-9-20)23-18-29-34-24(23)31-27(37-22-4-2-1-3-5-22)32-26(34)28-12-13-33-14-16-36-17-15-33/h1-9,18,21H,10-17H2,(H,30,35)(H,28,31,32)
InChIKeySUPPRUPSPZTWMR-UHFFFAOYSA-N
XLogP3.22
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide 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 N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide (CID 90176070) is N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnn3c(NCCN4CCOCC4)nc(Oc4ccccc4)nc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide?
The InChIKey is SUPPRUPSPZTWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3/c35-25(30-21-10-11-21)20-8-6-19(7-9-20)23-18-29-34-24(23)31-27(37-22-4-2-1-3-5-22)32-26(34)28-12-13-33-14-16-36-17-15-33/h1-9,18,21H,10-17H2,(H,30,35)(H,28,31,32).
What are the key properties of N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide?
N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide has a molecular weight of 499.58 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-(2-morpholin-4-ylethylamino)-2-phenoxypyrazolo[1,5-a][1,3,5]triazin-8-yl]benzamide is sourced from PubChem (CID 90176070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).