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

C20H15ClF2N6O2 — CID 163221206

IUPAC5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(10-5-25-28-18(10)15)8-2-3-13-26-12(7-29(13)6-8)27-19(30)9-4-11(9)22/h2-3,5-7,9,11H,4H2,1H3,(H,24,31)(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeySQIWJYNGYFOXIV-KOLCDFICSA-N
MW444.83 g/mol
LogP3.33
Rot. Bonds4

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

5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide (PubChem CID 163221206) has the molecular formula C20H15ClF2N6O2 and a molecular weight of 444.83 g/mol. Its IUPAC name is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide
PubChem CID163221206
Molecular FormulaC20H15ClF2N6O2
Molecular Weight444.83 g/mol
Exact Mass444.09
IUPAC Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12
InChIInChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(10-5-25-28-18(10)15)8-2-3-13-26-12(7-29(13)6-8)27-19(30)9-4-11(9)22/h2-3,5-7,9,11H,4H2,1H3,(H,24,31)(H,25,28)(H,27,30)/t9-,11+/m1/s1
InChIKeySQIWJYNGYFOXIV-KOLCDFICSA-N
XLogP3.33
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.83
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide (CID 163221206) is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide is CNC(=O)c1c(F)c(Cl)c(-c2ccc3nc(NC(=O)[C@@H]4C[C@@H]4F)cn3c2)c2cn[nH]c12.
What is the InChIKey of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide?
The InChIKey is SQIWJYNGYFOXIV-KOLCDFICSA-N. The full InChI is InChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(10-5-25-28-18(10)15)8-2-3-13-26-12(7-29(13)6-8)27-19(30)9-4-11(9)22/h2-3,5-7,9,11H,4H2,1H3,(H,24,31)(H,25,28)(H,27,30)/t9-,11+/m1/s1.
What are the key properties of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide?
5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide has a molecular weight of 444.83 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]imidazo[1,2-a]pyridin-6-yl]-N-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 163221206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).