(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one

C27H24Cl2N8O — CID 166165422

IUPAC(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one
SMILESCN/C=C(\N)C(=O)N1CC(n2cc(-c3cnc4ccn5c(C)c(-c6c(Cl)cccc6Cl)nc5c4c3)cn2)C1
InChIInChI=1S/C27H24Cl2N8O/c1-15-25(24-20(28)4-3-5-21(24)29)34-26-19-8-16(9-32-23(19)6-7-36(15)26)17-10-33-37(12-17)18-13-35(14-18)27(38)22(30)11-31-2/h3-12,18,31H,13-14,30H2,1-2H3/b22-11-
InChIKeyPNVWLZOMSLCPGB-JJFYIABZSA-N
MW547.45 g/mol
LogP4.43
Rot. Bonds5

About (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one

(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one (PubChem CID 166165422) has the molecular formula C27H24Cl2N8O and a molecular weight of 547.45 g/mol. Its IUPAC name is (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one
PubChem CID166165422
Molecular FormulaC27H24Cl2N8O
Molecular Weight547.45 g/mol
Exact Mass546.15
IUPAC Name(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one
SMILESCN/C=C(\N)C(=O)N1CC(n2cc(-c3cnc4ccn5c(C)c(-c6c(Cl)cccc6Cl)nc5c4c3)cn2)C1
InChIInChI=1S/C27H24Cl2N8O/c1-15-25(24-20(28)4-3-5-21(24)29)34-26-19-8-16(9-32-23(19)6-7-36(15)26)17-10-33-37(12-17)18-13-35(14-18)27(38)22(30)11-31-2/h3-12,18,31H,13-14,30H2,1-2H3/b22-11-
InChIKeyPNVWLZOMSLCPGB-JJFYIABZSA-N
XLogP4.43
TPSA106.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one 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 (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one?
The IUPAC name of (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one (CID 166165422) is (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one is CN/C=C(\N)C(=O)N1CC(n2cc(-c3cnc4ccn5c(C)c(-c6c(Cl)cccc6Cl)nc5c4c3)cn2)C1.
What is the InChIKey of (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one?
The InChIKey is PNVWLZOMSLCPGB-JJFYIABZSA-N. The full InChI is InChI=1S/C27H24Cl2N8O/c1-15-25(24-20(28)4-3-5-21(24)29)34-26-19-8-16(9-32-23(19)6-7-36(15)26)17-10-33-37(12-17)18-13-35(14-18)27(38)22(30)11-31-2/h3-12,18,31H,13-14,30H2,1-2H3/b22-11-.
What are the key properties of (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one?
(Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one has a molecular weight of 547.45 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-1-[3-[4-[2-(2,6-dichlorophenyl)-3-methylimidazo[2,1-f][1,6]naphthyridin-9-yl]pyrazol-1-yl]azetidin-1-yl]-3-(methylamino)prop-2-en-1-one is sourced from PubChem (CID 166165422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).