4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene

C25H23Cl2FN6O — CID 144738488

IUPAC4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc3ncc(C4CC4)n3n2)C1)c1cc(Cl)c(Cl)cn1
InChIInChI=1S/C19H18Cl2N6O.C6H5F/c20-13-7-15(22-8-14(13)21)19(28)24-12-5-6-26(10-12)18-4-3-17-23-9-16(11-1-2-11)27(17)25-18;7-6-4-2-1-3-5-6/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,24,28);1-5H/t12-;/m0./s1
InChIKeyVACJCGFMCQHEDF-YDALLXLXSA-N
MW513.40 g/mol
LogP5.14
Rot. Bonds4

About 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene

4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene (PubChem CID 144738488) has the molecular formula C25H23Cl2FN6O and a molecular weight of 513.40 g/mol. Its IUPAC name is 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene.

Molecular Properties

Compound Name4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
PubChem CID144738488
Molecular FormulaC25H23Cl2FN6O
Molecular Weight513.40 g/mol
Exact Mass512.13
IUPAC Name4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
SMILESFc1ccccc1.O=C(N[C@H]1CCN(c2ccc3ncc(C4CC4)n3n2)C1)c1cc(Cl)c(Cl)cn1
InChIInChI=1S/C19H18Cl2N6O.C6H5F/c20-13-7-15(22-8-14(13)21)19(28)24-12-5-6-26(10-12)18-4-3-17-23-9-16(11-1-2-11)27(17)25-18;7-6-4-2-1-3-5-6/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,24,28);1-5H/t12-;/m0./s1
InChIKeyVACJCGFMCQHEDF-YDALLXLXSA-N
XLogP5.14
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.40
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;5-ethenyl-4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene
CID 144737940
acetylene;ethane;fluorobenzene;4-methyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-[(E)-prop-1-enyl]pyridine-2-carboxamide
CID 144737896
3,5-dichloro-2-hydroxy-N-[(3S)-1-[3-[(E)-prop-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]benzamide;fluorobenzene
CID 144738243
ethane;fluorobenzene;N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 144738685
N-(2,2-difluoroethyl)-6-[(3S)-3-[(4-methyl-5-prop-1-en-2-ylpyridine-2-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738699
N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144737975
1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738702
fluorobenzene;4-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738246
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
1-butan-2-yl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738046
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene
CID 144738143

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene?
The IUPAC name of 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene (CID 144738488) is 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene.
What is the SMILES notation for 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene?
The canonical SMILES for 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene is Fc1ccccc1.O=C(N[C@H]1CCN(c2ccc3ncc(C4CC4)n3n2)C1)c1cc(Cl)c(Cl)cn1.
What is the InChIKey of 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene?
The InChIKey is VACJCGFMCQHEDF-YDALLXLXSA-N. The full InChI is InChI=1S/C19H18Cl2N6O.C6H5F/c20-13-7-15(22-8-14(13)21)19(28)24-12-5-6-26(10-12)18-4-3-17-23-9-16(11-1-2-11)27(17)25-18;7-6-4-2-1-3-5-6/h3-4,7-9,11-12H,1-2,5-6,10H2,(H,24,28);1-5H/t12-;/m0./s1.
What are the key properties of 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene?
4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene has a molecular weight of 513.40 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(3S)-1-(3-cyclopropylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-2-carboxamide;fluorobenzene is sourced from PubChem (CID 144738488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).