N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide

C24H29F4N5O2 — CID 177158012

IUPACN-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H](NC(=O)C1=CC(N2CCC(C)(CO)C2)=NN2CC(C)(C)N=C12)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C24H29F4N5O2/c1-14(15-6-5-7-17(19(15)25)24(26,27)28)29-21(35)16-10-18(32-9-8-23(4,12-32)13-34)31-33-11-22(2,3)30-20(16)33/h5-7,10,14,34H,8-9,11-13H2,1-4H3,(H,29,35)/t14-,23?/m1/s1
InChIKeyHJCXDPAPFXNXJL-PDNQZYNLSA-N
MW495.52 g/mol
LogP3.47
Rot. Bonds4

About N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide

N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 177158012) has the molecular formula C24H29F4N5O2 and a molecular weight of 495.52 g/mol. Its IUPAC name is N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID177158012
Molecular FormulaC24H29F4N5O2
Molecular Weight495.52 g/mol
Exact Mass495.23
IUPAC NameN-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
SMILESC[C@@H](NC(=O)C1=CC(N2CCC(C)(CO)C2)=NN2CC(C)(C)N=C12)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C24H29F4N5O2/c1-14(15-6-5-7-17(19(15)25)24(26,27)28)29-21(35)16-10-18(32-9-8-23(4,12-32)13-34)31-33-11-22(2,3)30-20(16)33/h5-7,10,14,34H,8-9,11-13H2,1-4H3,(H,29,35)/t14-,23?/m1/s1
InChIKeyHJCXDPAPFXNXJL-PDNQZYNLSA-N
XLogP3.47
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide with MolForge

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Related Compounds

6-(4-acetamidopiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide
CID 177158163
(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158093
(2R)-6-(4-cyano-4-methylpiperidin-1-yl)-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177158027
8-bromo-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-3-methyl-2H-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 177360304
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 177158035
(2R)-2-cyclopropyl-N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177158056
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]spiro[3H-imidazo[1,2-b]pyridazine-2,1'-cyclobutane]-8-carboxamide
CID 177157996
7-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-3,4-dihydro-2H-pyrimido[1,2-b]pyridazine-9-carboxamide
CID 177158029
2-fluoro-N-[(1-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 103738888
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-8-[4-[(3R)-3-methoxypyrrolidin-1-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 177295196
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
(2R)-6-chloro-N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-2-(2-methylpropyl)-2,3-dihydroimidazo[1,2-b]pyridazine-8-carboxamide
CID 177157940

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide (CID 177158012) is N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide is C[C@@H](NC(=O)C1=CC(N2CCC(C)(CO)C2)=NN2CC(C)(C)N=C12)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is HJCXDPAPFXNXJL-PDNQZYNLSA-N. The full InChI is InChI=1S/C24H29F4N5O2/c1-14(15-6-5-7-17(19(15)25)24(26,27)28)29-21(35)16-10-18(32-9-8-23(4,12-32)13-34)31-33-11-22(2,3)30-20(16)33/h5-7,10,14,34H,8-9,11-13H2,1-4H3,(H,29,35)/t14-,23?/m1/s1.
What are the key properties of N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide?
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 495.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-6-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,2-dimethyl-3H-imidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 177158012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).