methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate

C21H17F2N5O3 — CID 164718014

IUPACmethyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C21H17F2N5O3/c1-9-16(12-6-24-27-19(12)17(18(9)23)21(30)31-2)10-3-4-15-25-14(8-28(15)7-10)26-20(29)11-5-13(11)22/h3-4,6-8,11,13H,5H2,1-2H3,(H,24,27)(H,26,29)/t11-,13+/m1/s1
InChIKeyQCKAVXXDCOFFEB-YPMHNXCESA-N
MW425.40 g/mol
LogP3.41
Rot. Bonds4

About methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate

methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate (PubChem CID 164718014) has the molecular formula C21H17F2N5O3 and a molecular weight of 425.40 g/mol. Its IUPAC name is methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate
PubChem CID164718014
Molecular FormulaC21H17F2N5O3
Molecular Weight425.40 g/mol
Exact Mass425.13
IUPAC Namemethyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate
SMILESCOC(=O)c1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C21H17F2N5O3/c1-9-16(12-6-24-27-19(12)17(18(9)23)21(30)31-2)10-3-4-15-25-14(8-28(15)7-10)26-20(29)11-5-13(11)22/h3-4,6-8,11,13H,5H2,1-2H3,(H,24,27)(H,26,29)/t11-,13+/m1/s1
InChIKeyQCKAVXXDCOFFEB-YPMHNXCESA-N
XLogP3.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate?
The IUPAC name of methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate (CID 164718014) is methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate is COC(=O)c1c(F)c(C)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate?
The InChIKey is QCKAVXXDCOFFEB-YPMHNXCESA-N. The full InChI is InChI=1S/C21H17F2N5O3/c1-9-16(12-6-24-27-19(12)17(18(9)23)21(30)31-2)10-3-4-15-25-14(8-28(15)7-10)26-20(29)11-5-13(11)22/h3-4,6-8,11,13H,5H2,1-2H3,(H,24,27)(H,26,29)/t11-,13+/m1/s1.
What are the key properties of methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate?
methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate has a molecular weight of 425.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-5-methyl-1H-indazole-7-carboxylate is sourced from PubChem (CID 164718014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).