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

C38H41Cl2N5O5 — CID 166931844

IUPACN-[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
SMILESC=CC(=O)Nc1cc(-c2cc3c(cn2)C=C(c2c(Cl)c(OC)cc(OC)c2Cl)CN3/C=C\N=C)c(OC)cc1N1CCC2(CCOCC2)CC1
InChIInChI=1S/C38H41Cl2N5O5/c1-6-34(46)43-28-18-26(31(47-3)20-30(28)44-12-7-38(8-13-44)9-15-50-16-10-38)27-19-29-24(22-42-27)17-25(23-45(29)14-11-41-2)35-36(39)32(48-4)21-33(49-5)37(35)40/h6,11,14,17-22H,1-2,7-10,12-13,15-16,23H2,3-5H3,(H,43,46)/b14-11-
InChIKeyQTRSWNYZFJQMPI-KAMYIIQDSA-N
MW718.68 g/mol
LogP8.14
Rot. Bonds10

About 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

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 (PubChem CID 166931844) has the molecular formula C38H41Cl2N5O5 and a molecular weight of 718.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID166931844
Molecular FormulaC38H41Cl2N5O5
Molecular Weight718.68 g/mol
Exact Mass717.25
IUPAC NameN-[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
SMILESC=CC(=O)Nc1cc(-c2cc3c(cn2)C=C(c2c(Cl)c(OC)cc(OC)c2Cl)CN3/C=C\N=C)c(OC)cc1N1CCC2(CCOCC2)CC1
InChIInChI=1S/C38H41Cl2N5O5/c1-6-34(46)43-28-18-26(31(47-3)20-30(28)44-12-7-38(8-13-44)9-15-50-16-10-38)27-19-29-24(22-42-27)17-25(23-45(29)14-11-41-2)35-36(39)32(48-4)21-33(49-5)37(35)40/h6,11,14,17-22H,1-2,7-10,12-13,15-16,23H2,3-5H3,(H,43,46)/b14-11-
InChIKeyQTRSWNYZFJQMPI-KAMYIIQDSA-N
XLogP8.14
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.68
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 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

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
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
(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-[(3R,4S)-4-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyrimidin-6-yl]amino]oxolan-3-yl]prop-2-enamide
CID 135180689
N-[(3R,4S)-4-[[5-(2-azaspiro[3.4]octan-2-yl)-7-(2,6-dichloro-3,5-dimethoxyphenyl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(6-oxa-2-azaspiro[3.4]octan-2-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide;N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide
CID 167671085
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-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-[5-[[5-chloro-4-(2-dimethylphosphanylanilino)pyrimidin-2-yl]amino]-2-[9-(dimethylamino)-3-azaspiro[5.5]undecan-3-yl]-4-methoxyphenyl]prop-2-enamide
CID 155184002
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-[3-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-5-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 122476610
N-[5-[[5-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 118464534
N-[5-[[5-chloro-4-[[1-(3-fluoropropyl)cyclopropyl]methoxy]pyrimidin-2-yl]amino]-2-[4-(dimethylamino)piperidin-1-yl]-4-methoxyphenyl]prop-2-enamide
CID 159813072

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)Nc1cc(-c2cc3c(cn2)C=C(c2c(Cl)c(OC)cc(OC)c2Cl)CN3/C=C\N=C)c(OC)cc1N1CCC2(CCOCC2)CC1.
What is the InChIKey of 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?
The InChIKey is QTRSWNYZFJQMPI-KAMYIIQDSA-N. The full InChI is InChI=1S/C38H41Cl2N5O5/c1-6-34(46)43-28-18-26(31(47-3)20-30(28)44-12-7-38(8-13-44)9-15-50-16-10-38)27-19-29-24(22-42-27)17-25(23-45(29)14-11-41-2)35-36(39)32(48-4)21-33(49-5)37(35)40/h6,11,14,17-22H,1-2,7-10,12-13,15-16,23H2,3-5H3,(H,43,46)/b14-11-.
What are the key properties of 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?
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 has a molecular weight of 718.68 g/mol, XLogP of 8.14, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166931844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).