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

C21H18F2N6O2 — CID 164718104

IUPAC6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18F2N6O2/c1-9-16(13-8-25-27-19(13)17(18(9)23)21(31)24-2)10-3-4-29-11(5-10)6-15(28-29)26-20(30)12-7-14(12)22/h3-6,8,12,14H,7H2,1-2H3,(H,24,31)(H,25,27)(H,26,28,30)/t12-,14+/m1/s1
InChIKeyNLZZNBOHMOXVNC-OCCSQVGLSA-N
MW424.41 g/mol
LogP2.98
Rot. Bonds4

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

6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide (PubChem CID 164718104) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide
PubChem CID164718104
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide
SMILESCNC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C21H18F2N6O2/c1-9-16(13-8-25-27-19(13)17(18(9)23)21(31)24-2)10-3-4-29-11(5-10)6-15(28-29)26-20(30)12-7-14(12)22/h3-6,8,12,14H,7H2,1-2H3,(H,24,31)(H,25,27)(H,26,28,30)/t12-,14+/m1/s1
InChIKeyNLZZNBOHMOXVNC-OCCSQVGLSA-N
XLogP2.98
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide?
The IUPAC name of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide (CID 164718104) is 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide.
What is the SMILES notation for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide?
The canonical SMILES for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide is CNC(=O)c1c(F)c(C)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide?
The InChIKey is NLZZNBOHMOXVNC-OCCSQVGLSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-9-16(13-8-25-27-19(13)17(18(9)23)21(31)24-2)10-3-4-29-11(5-10)6-15(28-29)26-20(30)12-7-14(12)22/h3-6,8,12,14H,7H2,1-2H3,(H,24,31)(H,25,27)(H,26,28,30)/t12-,14+/m1/s1.
What are the key properties of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide?
6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,5-dimethyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 164718104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).