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

C20H15ClF2N6O2 — CID 164718346

IUPAC5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(11-7-25-27-18(11)15)8-2-3-29-9(4-8)5-13(28-29)26-19(30)10-6-12(10)22/h2-5,7,10,12H,6H2,1H3,(H,24,31)(H,25,27)(H,26,28,30)/t10-,12+/m1/s1
InChIKeyVRVPNMGHQYIACB-PWSUYJOCSA-N
MW444.83 g/mol
LogP3.33
Rot. Bonds4

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

5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide (PubChem CID 164718346) 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]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
PubChem CID164718346
Molecular FormulaC20H15ClF2N6O2
Molecular Weight444.83 g/mol
Exact Mass444.09
IUPAC Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(11-7-25-27-18(11)15)8-2-3-29-9(4-8)5-13(28-29)26-19(30)10-6-12(10)22/h2-5,7,10,12H,6H2,1H3,(H,24,31)(H,25,27)(H,26,28,30)/t10-,12+/m1/s1
InChIKeyVRVPNMGHQYIACB-PWSUYJOCSA-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]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The IUPAC name of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide (CID 164718346) is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide is CNC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
The InChIKey is VRVPNMGHQYIACB-PWSUYJOCSA-N. The full InChI is InChI=1S/C20H15ClF2N6O2/c1-24-20(31)15-17(23)16(21)14(11-7-25-27-18(11)15)8-2-3-29-9(4-8)5-13(28-29)26-19(30)10-6-12(10)22/h2-5,7,10,12H,6H2,1H3,(H,24,31)(H,25,27)(H,26,28,30)/t10-,12+/m1/s1.
What are the key properties of 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide?
5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-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]pyrazolo[1,5-a]pyridin-5-yl]-N-methyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 164718346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).