N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide

C24H24N8O2 — CID 58407994

IUPACN-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2nc(Nc3nc4c(cc3C)CN(C)CC4)nc3ccnn23)c1
InChIInChI=1S/C24H24N8O2/c1-4-21(33)26-17-6-5-7-18(13-17)34-24-30-23(28-20-8-10-25-32(20)24)29-22-15(2)12-16-14-31(3)11-9-19(16)27-22/h4-8,10,12-13H,1,9,11,14H2,2-3H3,(H,26,33)(H,27,28,29)
InChIKeyMBRXXEMLDJKGBQ-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.48
Rot. Bonds6

About N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide

N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide (PubChem CID 58407994) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide
PubChem CID58407994
Molecular FormulaC24H24N8O2
Molecular Weight456.51 g/mol
Exact Mass456.20
IUPAC NameN-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2nc(Nc3nc4c(cc3C)CN(C)CC4)nc3ccnn23)c1
InChIInChI=1S/C24H24N8O2/c1-4-21(33)26-17-6-5-7-18(13-17)34-24-30-23(28-20-8-10-25-32(20)24)29-22-15(2)12-16-14-31(3)11-9-19(16)27-22/h4-8,10,12-13H,1,9,11,14H2,2-3H3,(H,26,33)(H,27,28,29)
InChIKeyMBRXXEMLDJKGBQ-UHFFFAOYSA-N
XLogP3.48
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide 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-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide?
The IUPAC name of N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide (CID 58407994) is N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide?
The canonical SMILES for N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Oc2nc(Nc3nc4c(cc3C)CN(C)CC4)nc3ccnn23)c1.
What is the InChIKey of N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide?
The InChIKey is MBRXXEMLDJKGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2/c1-4-21(33)26-17-6-5-7-18(13-17)34-24-30-23(28-20-8-10-25-32(20)24)29-22-15(2)12-16-14-31(3)11-9-19(16)27-22/h4-8,10,12-13H,1,9,11,14H2,2-3H3,(H,26,33)(H,27,28,29).
What are the key properties of N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide?
N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide has a molecular weight of 456.51 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]pyrazolo[1,5-a][1,3,5]triazin-4-yl]oxyphenyl]prop-2-enamide is sourced from PubChem (CID 58407994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).