N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine

C45H32ClF3N10 — CID 67110968

IUPACN-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccccc1Nc1ccc2ncc(Cc3ccc4ncccc4c3)n2n1.FC(F)(F)c1cccc(Nc2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C23H16F3N5.C22H16ClN5/c24-23(25,26)17-4-1-5-18(13-17)29-21-8-9-22-28-14-19(31(22)30-21)12-15-6-7-20-16(11-15)3-2-10-27-20;23-18-5-1-2-6-20(18)26-21-9-10-22-25-14-17(28(22)27-21)13-15-7-8-19-16(12-15)4-3-11-24-19/h1-11,13-14H,12H2,(H,29,30);1-12,14H,13H2,(H,26,27)
InChIKeyPILLUOHNTFWOQR-UHFFFAOYSA-N
MW805.27 g/mol
LogP10.90
Rot. Bonds8

About N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine

N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 67110968) has the molecular formula C45H32ClF3N10 and a molecular weight of 805.27 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID67110968
Molecular FormulaC45H32ClF3N10
Molecular Weight805.27 g/mol
Exact Mass804.25
IUPAC NameN-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccccc1Nc1ccc2ncc(Cc3ccc4ncccc4c3)n2n1.FC(F)(F)c1cccc(Nc2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1
InChIInChI=1S/C23H16F3N5.C22H16ClN5/c24-23(25,26)17-4-1-5-18(13-17)29-21-8-9-22-28-14-19(31(22)30-21)12-15-6-7-20-16(11-15)3-2-10-27-20;23-18-5-1-2-6-20(18)26-21-9-10-22-25-14-17(28(22)27-21)13-15-7-8-19-16(12-15)4-3-11-24-19/h1-11,13-14H,12H2,(H,29,30);1-12,14H,13H2,(H,26,27)
InChIKeyPILLUOHNTFWOQR-UHFFFAOYSA-N
XLogP10.90
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.27
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 67110968) is N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is Clc1ccccc1Nc1ccc2ncc(Cc3ccc4ncccc4c3)n2n1.FC(F)(F)c1cccc(Nc2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PILLUOHNTFWOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5.C22H16ClN5/c24-23(25,26)17-4-1-5-18(13-17)29-21-8-9-22-28-14-19(31(22)30-21)12-15-6-7-20-16(11-15)3-2-10-27-20;23-18-5-1-2-6-20(18)26-21-9-10-22-25-14-17(28(22)27-21)13-15-7-8-19-16(12-15)4-3-11-24-19/h1-11,13-14H,12H2,(H,29,30);1-12,14H,13H2,(H,26,27).
What are the key properties of N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 805.27 g/mol, XLogP of 10.90, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(quinolin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 67110968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).