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

C21H17ClF2N6O2 — CID 164718240

IUPAC5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-7-carboxamide
SMILESCN(C)C(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H17ClF2N6O2/c1-29(2)21(32)16-18(24)17(22)15(12-8-25-27-19(12)16)9-3-4-30-10(5-9)6-14(28-30)26-20(31)11-7-13(11)23/h3-6,8,11,13H,7H2,1-2H3,(H,25,27)(H,26,28,31)/t11-,13+/m1/s1
InChIKeyRRPZVXNVRRWNBX-YPMHNXCESA-N
MW458.86 g/mol
LogP3.67
Rot. Bonds4

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

5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-7-carboxamide (PubChem CID 164718240) has the molecular formula C21H17ClF2N6O2 and a molecular weight of 458.86 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,N-dimethyl-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,N-dimethyl-1H-indazole-7-carboxamide
PubChem CID164718240
Molecular FormulaC21H17ClF2N6O2
Molecular Weight458.86 g/mol
Exact Mass458.11
IUPAC Name5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-7-carboxamide
SMILESCN(C)C(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H17ClF2N6O2/c1-29(2)21(32)16-18(24)17(22)15(12-8-25-27-19(12)16)9-3-4-30-10(5-9)6-14(28-30)26-20(31)11-7-13(11)23/h3-6,8,11,13H,7H2,1-2H3,(H,25,27)(H,26,28,31)/t11-,13+/m1/s1
InChIKeyRRPZVXNVRRWNBX-YPMHNXCESA-N
XLogP3.67
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.86
LogP ≤ 53.67
H-Bond Donors ≤ 52
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,N-dimethyl-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,N-dimethyl-1H-indazole-7-carboxamide (CID 164718240) is 5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-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,N-dimethyl-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,N-dimethyl-1H-indazole-7-carboxamide is CN(C)C(=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,N-dimethyl-1H-indazole-7-carboxamide?
The InChIKey is RRPZVXNVRRWNBX-YPMHNXCESA-N. The full InChI is InChI=1S/C21H17ClF2N6O2/c1-29(2)21(32)16-18(24)17(22)15(12-8-25-27-19(12)16)9-3-4-30-10(5-9)6-14(28-30)26-20(31)11-7-13(11)23/h3-6,8,11,13H,7H2,1-2H3,(H,25,27)(H,26,28,31)/t11-,13+/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,N-dimethyl-1H-indazole-7-carboxamide?
5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-7-carboxamide has a molecular weight of 458.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 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,N-dimethyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 164718240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).