N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C27H31FN6OS — CID 134486007

IUPACN-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1cc2ccc(N3CCC(N4CCOCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H31FN6OS/c1-3-19-16-22-8-9-25(33-11-10-23(17-33)32-12-14-35-15-13-32)30-34(22)26(19)31(2)27-29-24(18-36-27)20-4-6-21(28)7-5-20/h4-9,16,18,23H,3,10-15,17H2,1-2H3
InChIKeyFHTGBWDVUCTQLK-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.84
Rot. Bonds6

About N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 134486007) has the molecular formula C27H31FN6OS and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID134486007
Molecular FormulaC27H31FN6OS
Molecular Weight506.65 g/mol
Exact Mass506.23
IUPAC NameN-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1cc2ccc(N3CCC(N4CCOCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H31FN6OS/c1-3-19-16-22-8-9-25(33-11-10-23(17-33)32-12-14-35-15-13-32)30-34(22)26(19)31(2)27-29-24(18-36-27)20-4-6-21(28)7-5-20/h4-9,16,18,23H,3,10-15,17H2,1-2H3
InChIKeyFHTGBWDVUCTQLK-UHFFFAOYSA-N
XLogP4.84
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]amino]propanoic acid
CID 126662647
[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl] formate;[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl] methanesulfonate
CID 158372624
[(2S)-1-[3-(dimethylamino)propylsulfanyl]-4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]methanol
CID 126690078
N-[6-(4-aminopiperidin-1-yl)-2-ethylimidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-[1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]imidazole-1-carboxamide
CID 161092840
N-[2-ethyl-6-[(1S)-5-methylsulfanyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 126690071
3-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 144760394
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfinamide
CID 134173342
2-[[2-ethyl-6-[3-(oxonan-5-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 123631748
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897
N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 122497267
4-[1-(6-ethylpyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 172905311
N-(2-ethyl-6,8-dimethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 155469556

Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 134486007) is N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1cc2ccc(N3CCC(N4CCOCC4)C3)nn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is FHTGBWDVUCTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6OS/c1-3-19-16-22-8-9-25(33-11-10-23(17-33)32-12-14-35-15-13-32)30-34(22)26(19)31(2)27-29-24(18-36-27)20-4-6-21(28)7-5-20/h4-9,16,18,23H,3,10-15,17H2,1-2H3.
What are the key properties of N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 506.65 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyrrolo[1,2-b]pyridazin-7-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 134486007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).