N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

C27H25FN6O3 — CID 176594458

IUPACN-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)cc1NC(=O)N1OCCC1c1ccccc1
InChIInChI=1S/C27H25FN6O3/c1-16-7-8-18(13-22(16)29-27(36)34-23(11-12-37-34)17-5-3-2-4-6-17)21-9-10-25-30-24(15-33(25)32-21)31-26(35)19-14-20(19)28/h2-10,13,15,19-20,23H,11-12,14H2,1H3,(H,29,36)(H,31,35)/t19-,20+,23?/m1/s1
InChIKeyZCMOGJMUIBCEGF-ZCQKWSGTSA-N
MW500.53 g/mol
LogP4.91
Rot. Bonds5

About N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide

N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (PubChem CID 176594458) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
PubChem CID176594458
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC NameN-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
SMILESCc1ccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)cc1NC(=O)N1OCCC1c1ccccc1
InChIInChI=1S/C27H25FN6O3/c1-16-7-8-18(13-22(16)29-27(36)34-23(11-12-37-34)17-5-3-2-4-6-17)21-9-10-25-30-24(15-33(25)32-21)31-26(35)19-14-20(19)28/h2-10,13,15,19-20,23H,11-12,14H2,1H3,(H,29,36)(H,31,35)/t19-,20+,23?/m1/s1
InChIKeyZCMOGJMUIBCEGF-ZCQKWSGTSA-N
XLogP4.91
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide with MolForge

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Related Compounds

N-[5-[2-[(2-hydroxyacetyl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594538
(3S)-N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazolidine-2-carboxamide
CID 176594482
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-methoxyphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594506
N,3-diphenyl-1,2-oxazolidine-2-carboxamide
CID 154595659
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]cyclopropanecarboxamide
CID 16824889
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
CID 155069366
N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-3-pyridinyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 176594547
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243302
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The IUPAC name of N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide (CID 176594458) is N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide.
What is the SMILES notation for N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The canonical SMILES for N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is Cc1ccc(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3n2)cc1NC(=O)N1OCCC1c1ccccc1.
What is the InChIKey of N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
The InChIKey is ZCMOGJMUIBCEGF-ZCQKWSGTSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-16-7-8-18(13-22(16)29-27(36)34-23(11-12-37-34)17-5-3-2-4-6-17)21-9-10-25-30-24(15-33(25)32-21)31-26(35)19-14-20(19)28/h2-10,13,15,19-20,23H,11-12,14H2,1H3,(H,29,36)(H,31,35)/t19-,20+,23?/m1/s1.
What are the key properties of N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide?
N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-b]pyridazin-6-yl]-2-methylphenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide is sourced from PubChem (CID 176594458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).