N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide

C37H36Cl2N6O4 — CID 155121840

IUPACN-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c2nccn23)c(OC)cc1N1CCN(C2CC2)C2(CC2)C1
InChIInChI=1S/C37H36Cl2N6O4/c1-5-32(46)42-26-15-23(29(47-2)17-28(26)43-12-13-45(22-6-7-22)37(20-43)8-9-37)25-16-27-21(19-41-25)14-24(36-40-10-11-44(27)36)33-34(38)30(48-3)18-31(49-4)35(33)39/h5,10-11,14-19,22H,1,6-9,12-13,20H2,2-4H3,(H,42,46)
InChIKeyGZVGQNMUUVQDMP-UHFFFAOYSA-N
MW699.64 g/mol
LogP7.49
Rot. Bonds9

About N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide

N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide (PubChem CID 155121840) has the molecular formula C37H36Cl2N6O4 and a molecular weight of 699.64 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide
PubChem CID155121840
Molecular FormulaC37H36Cl2N6O4
Molecular Weight699.64 g/mol
Exact Mass698.22
IUPAC NameN-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c2nccn23)c(OC)cc1N1CCN(C2CC2)C2(CC2)C1
InChIInChI=1S/C37H36Cl2N6O4/c1-5-32(46)42-26-15-23(29(47-2)17-28(26)43-12-13-45(22-6-7-22)37(20-43)8-9-37)25-16-27-21(19-41-25)14-24(36-40-10-11-44(27)36)33-34(38)30(48-3)18-31(49-4)35(33)39/h5,10-11,14-19,22H,1,6-9,12-13,20H2,2-4H3,(H,42,46)
InChIKeyGZVGQNMUUVQDMP-UHFFFAOYSA-N
XLogP7.49
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.64
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]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

Related Compounds

(E)-N-[2-(4-cyclopropylpiperazin-1-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]but-2-enamide
CID 155108691
N-[2-(4-cyanopiperazin-1-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide;N-[2-(4-cyclopropylpiperazin-1-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide;N-[5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxy-2-(4-morpholin-4-ylpiperidin-1-yl)phenyl]prop-2-enamide;N-[5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxy-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]prop-2-enamide
CID 164999266
N-[(E)-but-2-enyl]-2-(4-cyclopropylpiperazin-1-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyaniline
CID 163286619
N-[5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxy-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]but-2-ynamide
CID 155121860
N-[2-[[4-(2,6-dichloro-3-hydroxy-5-methoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]amino]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 145430743
N-[2-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]amino]-5-pyrrolidin-1-ylphenyl]prop-2-enamide
CID 138583726
N-[2-(8-cyclopropyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-[(Z)-2-[8-(2,6-dichloro-3,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-5-yl]-1-(methylideneamino)ethenyl]-4-methoxyphenyl]prop-2-enamide
CID 167109548
N-[5-[(Z)-2-[8-(2,6-dichloro-3,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-5-yl]-1-(methylideneamino)ethenyl]-2-(7,7-dioxo-7λ6-thia-2-azaspiro[3.5]nonan-2-yl)-4-methoxyphenyl]prop-2-enamide
CID 167109464
N-[3-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]amino]phenyl]prop-2-enamide
CID 138583728
N-[5-[3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[(Z)-2-(methylideneamino)ethenyl]-2H-1,6-naphthyridin-7-yl]-4-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)phenyl]prop-2-enamide
CID 166931844
N-[3-[7-[2,6-dichloro-3-methoxy-5-(methylamino)phenyl]-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]-5-morpholin-4-ylphenyl]prop-2-enamide
CID 138599301
N-[2-[[4-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]amino]phenyl]prop-2-enamide
CID 146412368

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide (CID 155121840) is N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cc3c(cn2)cc(-c2c(Cl)c(OC)cc(OC)c2Cl)c2nccn23)c(OC)cc1N1CCN(C2CC2)C2(CC2)C1.
What is the InChIKey of N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide?
The InChIKey is GZVGQNMUUVQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36Cl2N6O4/c1-5-32(46)42-26-15-23(29(47-2)17-28(26)43-12-13-45(22-6-7-22)37(20-43)8-9-37)25-16-27-21(19-41-25)14-24(36-40-10-11-44(27)36)33-34(38)30(48-3)18-31(49-4)35(33)39/h5,10-11,14-19,22H,1,6-9,12-13,20H2,2-4H3,(H,42,46).
What are the key properties of N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide?
N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide has a molecular weight of 699.64 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-4,7-diazaspiro[2.5]octan-7-yl)-5-[4-(2,6-dichloro-3,5-dimethoxyphenyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 155121840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).