(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine

C23H18ClFN4 — CID 70970553

IUPAC(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine
SMILESC=c1ccc(Cc2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)c/c1=C/C=C\N
InChIInChI=1S/C23H18ClFN4/c1-15-4-5-16(11-17(15)3-2-10-26)12-19-14-27-23-9-8-22(28-29(19)23)18-6-7-21(25)20(24)13-18/h2-11,13-14H,1,12,26H2/b10-2-,17-3-
InChIKeyIYFQNTCBIHXMJX-HAUFYEHHSA-N
MW404.88 g/mol
LogP3.44
Rot. Bonds4

About (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine

(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine (PubChem CID 70970553) has the molecular formula C23H18ClFN4 and a molecular weight of 404.88 g/mol. Its IUPAC name is (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine
PubChem CID70970553
Molecular FormulaC23H18ClFN4
Molecular Weight404.88 g/mol
Exact Mass404.12
IUPAC Name(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine
SMILESC=c1ccc(Cc2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)c/c1=C/C=C\N
InChIInChI=1S/C23H18ClFN4/c1-15-4-5-16(11-17(15)3-2-10-26)12-19-14-27-23-9-8-22(28-29(19)23)18-6-7-21(25)20(24)13-18/h2-11,13-14H,1,12,26H2/b10-2-,17-3-
InChIKeyIYFQNTCBIHXMJX-HAUFYEHHSA-N
XLogP3.44
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine 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,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine?
The IUPAC name of (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine (CID 70970553) is (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine is C=c1ccc(Cc2cnc3ccc(-c4ccc(F)c(Cl)c4)nn23)c/c1=C/C=C\N.
What is the InChIKey of (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine?
The InChIKey is IYFQNTCBIHXMJX-HAUFYEHHSA-N. The full InChI is InChI=1S/C23H18ClFN4/c1-15-4-5-16(11-17(15)3-2-10-26)12-19-14-27-23-9-8-22(28-29(19)23)18-6-7-21(25)20(24)13-18/h2-11,13-14H,1,12,26H2/b10-2-,17-3-.
What are the key properties of (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine?
(Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine has a molecular weight of 404.88 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-[3-[[6-(3-chloro-4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-6-methylidenecyclohexa-2,4-dien-1-ylidene]prop-1-en-1-amine is sourced from PubChem (CID 70970553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).