4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

C51H57N13O2 — CID 159208083

IUPAC4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C29H35N7O.C22H22N6O/c1-22-7-6-17-35(22)28-9-5-8-27(32-28)31-26-21-25(33-36-18-14-30-29(26)36)23-10-12-24(13-11-23)37-20-19-34-15-3-2-4-16-34;1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28/h5,8-14,18,21-22H,2-4,6-7,15-17,19-20H2,1H3,(H,31,32);2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25)
InChIKeyKQDDTHDFHRYPIY-UHFFFAOYSA-N
MW884.11 g/mol
LogP9.62
Rot. Bonds12

About 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine

4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 159208083) has the molecular formula C51H57N13O2 and a molecular weight of 884.11 g/mol. Its IUPAC name is 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID159208083
Molecular FormulaC51H57N13O2
Molecular Weight884.11 g/mol
Exact Mass883.48
IUPAC Name4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCCC4)cc3)nn3ccnc23)n1
InChIInChI=1S/C29H35N7O.C22H22N6O/c1-22-7-6-17-35(22)28-9-5-8-27(32-28)31-26-21-25(33-36-18-14-30-29(26)36)23-10-12-24(13-11-23)37-20-19-34-15-3-2-4-16-34;1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28/h5,8-14,18,21-22H,2-4,6-7,15-17,19-20H2,1H3,(H,31,32);2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25)
InChIKeyKQDDTHDFHRYPIY-UHFFFAOYSA-N
XLogP9.62
TPSA149.40 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.11
LogP ≤ 59.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine with MolForge

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Related Compounds

WO2022090481, Example I-022
CID 163273430
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 164514234
N-cyclohexyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 49791355
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
6-(4-(2-(diethylamino)ethoxy)phenyl)-N-(6-(2-methylpyrrolidin-1-yl)pyridin-2-yl)imidazo[1,2-b]pyridazin-8-amine
CID 71526702

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine (CID 159208083) is 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1.CC1CCCN1c1cccc(Nc2cc(-c3ccc(OCCN4CCCCC4)cc3)nn3ccnc23)n1.
What is the InChIKey of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is KQDDTHDFHRYPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O.C22H22N6O/c1-22-7-6-17-35(22)28-9-5-8-27(32-28)31-26-21-25(33-36-18-14-30-29(26)36)23-10-12-24(13-11-23)37-20-19-34-15-3-2-4-16-34;1-15-4-3-12-27(15)21-6-2-5-20(25-21)24-19-14-18(16-7-9-17(29)10-8-16)26-28-13-11-23-22(19)28/h5,8-14,18,21-22H,2-4,6-7,15-17,19-20H2,1H3,(H,31,32);2,5-11,13-15,29H,3-4,12H2,1H3,(H,24,25).
What are the key properties of 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine?
4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 884.11 g/mol, XLogP of 9.62, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenol;N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 159208083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).