6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C38H40ClN13O — CID 158196345

IUPAC6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.COc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C22H23N7O.C16H17ClN6/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20)
InChIKeyGAJPJVXVQDFKGS-UHFFFAOYSA-N
MW730.28 g/mol
LogP7.44
Rot. Bonds8

About 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 158196345) has the molecular formula C38H40ClN13O and a molecular weight of 730.28 g/mol. Its IUPAC name is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID158196345
Molecular FormulaC38H40ClN13O
Molecular Weight730.28 g/mol
Exact Mass729.32
IUPAC Name6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.COc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C22H23N7O.C16H17ClN6/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20)
InChIKeyGAJPJVXVQDFKGS-UHFFFAOYSA-N
XLogP7.44
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.28
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine with MolForge

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Related Compounds

US10544143, Example 1067
CID 138687106
7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 57691309
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[3-(2-piperazin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 71525359
6-(5-methoxypyridin-3-yl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526616
N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 71526617
N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)-6-(3-(2-(piperidin-1-yl)ethoxy)phenyl)imidazo[1,2-b]pyridazin-8-amine
CID 71526620
N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)-6-(3-(2-morpholinoethoxy)phenyl)imidazo[1,2-b]pyridazin-8-amine
CID 71526698
N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)imidazo[1,2-b]pyridazin-8-amine
CID 71526699
N-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-yl)-6-(4-(2-morpholinoethoxy)phenyl)imidazo[1,2-b]pyridazin-8-amine
CID 71526700
6-(3-(2-(diethylamino)ethoxy)phenyl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526701
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-3-yloxyethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728453
3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038732

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 158196345) is 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(Cl)nn3ccnc23)n1.COc1cncc(-c2cc(Nc3cccc(N4CCCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is GAJPJVXVQDFKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O.C16H17ClN6/c1-15-5-4-9-28(15)21-7-3-6-20(26-21)25-19-12-18(27-29-10-8-24-22(19)29)16-11-17(30-2)14-23-13-16;1-11-4-3-8-22(11)15-6-2-5-14(20-15)19-12-10-13(17)21-23-9-7-18-16(12)23/h3,6-8,10-15H,4-5,9H2,1-2H3,(H,25,26);2,5-7,9-11H,3-4,8H2,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 730.28 g/mol, XLogP of 7.44, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine;6-(5-methoxy-3-pyridinyl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 158196345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).