N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C30H37FN6O2 — CID 123686433

IUPACN-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Cc2c(C)nc3c(CN4CCOCC4)cc(Nc4cc(C)ncc4C(C)(C)C)nn23)c(F)c1
InChIInChI=1S/C30H37FN6O2/c1-19-13-26(24(17-32-19)30(3,4)5)34-28-15-22(18-36-9-11-39-12-10-36)29-33-20(2)27(37(29)35-28)14-21-7-8-23(38-6)16-25(21)31/h7-8,13,15-17H,9-12,14,18H2,1-6H3,(H,32,34,35)
InChIKeyBUGVWBLRKOSEJQ-UHFFFAOYSA-N
MW532.66 g/mol
LogP5.35
Rot. Bonds7

About N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 123686433) has the molecular formula C30H37FN6O2 and a molecular weight of 532.66 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID123686433
Molecular FormulaC30H37FN6O2
Molecular Weight532.66 g/mol
Exact Mass532.30
IUPAC NameN-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Cc2c(C)nc3c(CN4CCOCC4)cc(Nc4cc(C)ncc4C(C)(C)C)nn23)c(F)c1
InChIInChI=1S/C30H37FN6O2/c1-19-13-26(24(17-32-19)30(3,4)5)34-28-15-22(18-36-9-11-39-12-10-36)29-33-20(2)27(37(29)35-28)14-21-7-8-23(38-6)16-25(21)31/h7-8,13,15-17H,9-12,14,18H2,1-6H3,(H,32,34,35)
InChIKeyBUGVWBLRKOSEJQ-UHFFFAOYSA-N
XLogP5.35
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.66
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
AZ-Tak1
CID 71543324
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 123686433) is N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(Cc2c(C)nc3c(CN4CCOCC4)cc(Nc4cc(C)ncc4C(C)(C)C)nn23)c(F)c1.
What is the InChIKey of N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BUGVWBLRKOSEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O2/c1-19-13-26(24(17-32-19)30(3,4)5)34-28-15-22(18-36-9-11-39-12-10-36)29-33-20(2)27(37(29)35-28)14-21-7-8-23(38-6)16-25(21)31/h7-8,13,15-17H,9-12,14,18H2,1-6H3,(H,32,34,35).
What are the key properties of N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 532.66 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methyl-4-pyridinyl)-3-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 123686433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).