N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide

C34H30F2N6O2 — CID 146638764

IUPACN-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC1c2ccccc2CCN1C(=O)c1cc(-c2cccc(F)c2)c2nc(-c3ccc(NC(=O)N4CCCC4)cc3F)cn2n1
InChIInChI=1S/C34H30F2N6O2/c1-21-26-10-3-2-7-22(26)13-16-41(21)33(43)30-19-28(23-8-6-9-24(35)17-23)32-38-31(20-42(32)39-30)27-12-11-25(18-29(27)36)37-34(44)40-14-4-5-15-40/h2-3,6-12,17-21H,4-5,13-16H2,1H3,(H,37,44)
InChIKeyDHKZDZSKFIFJRW-UHFFFAOYSA-N
MW592.65 g/mol
LogP6.73
Rot. Bonds4

About N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide

N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 146638764) has the molecular formula C34H30F2N6O2 and a molecular weight of 592.65 g/mol. Its IUPAC name is N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID146638764
Molecular FormulaC34H30F2N6O2
Molecular Weight592.65 g/mol
Exact Mass592.24
IUPAC NameN-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCC1c2ccccc2CCN1C(=O)c1cc(-c2cccc(F)c2)c2nc(-c3ccc(NC(=O)N4CCCC4)cc3F)cn2n1
InChIInChI=1S/C34H30F2N6O2/c1-21-26-10-3-2-7-22(26)13-16-41(21)33(43)30-19-28(23-8-6-9-24(35)17-23)32-38-31(20-42(32)39-30)27-12-11-25(18-29(27)36)37-34(44)40-14-4-5-15-40/h2-3,6-12,17-21H,4-5,13-16H2,1H3,(H,37,44)
InChIKeyDHKZDZSKFIFJRW-UHFFFAOYSA-N
XLogP6.73
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.65
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[4-[8-cyclopropyl-6-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]imidazo[1,2-b]pyridazin-2-yl]-3-fluorophenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 146596203
[2-[6-(cyclopentylmethyl)-4-fluoro-3-pyridinyl]-8-ethylimidazo[1,2-b]pyridazin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146638767
[2-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyridin-6-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 146638162
[2-(4-bromo-2-fluorophenyl)-8-(dimethylamino)imidazo[1,2-a]pyridin-6-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 146638471
CID 163904774
CID 163904774
[7-butyl-2-(2-fluoro-4-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 166805253
(3S)-1-[3-fluoro-4-[7-(5-fluoro-3-pyridinyl)-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-3-carboxamide
CID 154635476
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801742
1-[4-[7-cyclopropyl-5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyrazolo[1,5-a]pyrimidin-2-yl]-3-fluorophenyl]azetidine-3-carboxamide
CID 142600224
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-[2-(3-fluorophenyl)-1,3-benzothiazol-5-yl]pyrrolidine-1-carboxamide
CID 130270096
(1R)-2-[3-fluoro-4-[5-[(1R)-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]-N-methylsulfonylcyclopropane-1-carboxamide
CID 155642288

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide (CID 146638764) is N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide is CC1c2ccccc2CCN1C(=O)c1cc(-c2cccc(F)c2)c2nc(-c3ccc(NC(=O)N4CCCC4)cc3F)cn2n1.
What is the InChIKey of N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is DHKZDZSKFIFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N6O2/c1-21-26-10-3-2-7-22(26)13-16-41(21)33(43)30-19-28(23-8-6-9-24(35)17-23)32-38-31(20-42(32)39-30)27-12-11-25(18-29(27)36)37-34(44)40-14-4-5-15-40/h2-3,6-12,17-21H,4-5,13-16H2,1H3,(H,37,44).
What are the key properties of N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide?
N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 592.65 g/mol, XLogP of 6.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[8-(3-fluorophenyl)-6-(1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-b]pyridazin-2-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 146638764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).