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

C21H18F2N6O2 — CID 164718073

IUPAC6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide
SMILESCN(C)C(=O)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H18F2N6O2/c1-28(2)21(31)19-15(23)8-16-13(9-24-26-16)18(19)10-3-4-29-11(5-10)6-17(27-29)25-20(30)12-7-14(12)22/h3-6,8-9,12,14H,7H2,1-2H3,(H,24,26)(H,25,27,30)/t12-,14+/m1/s1
InChIKeyAIAMMWPZGRHHCP-OCCSQVGLSA-N
MW424.41 g/mol
LogP3.02
Rot. Bonds4

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

6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide (PubChem CID 164718073) 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,N-dimethyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide
PubChem CID164718073
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,N-dimethyl-1H-indazole-5-carboxamide
SMILESCN(C)C(=O)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H18F2N6O2/c1-28(2)21(31)19-15(23)8-16-13(9-24-26-16)18(19)10-3-4-29-11(5-10)6-17(27-29)25-20(30)12-7-14(12)22/h3-6,8-9,12,14H,7H2,1-2H3,(H,24,26)(H,25,27,30)/t12-,14+/m1/s1
InChIKeyAIAMMWPZGRHHCP-OCCSQVGLSA-N
XLogP3.02
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1S,2S)-N-[5-[5-(dimethylamino)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 164987048
cis-(1S,2S)-N-[5-(5-ethenyl-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718384
N-[5-[7-[acetyl(methyl)amino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707250
cis-(1S,2S)-2-fluoro-N-[5-(6-fluoro-5,7-dimethyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 165071369
cis-(1S,2S)-N-[5-[5-chloro-7-[[4-(dimethylamino)cyclohexyl]amino]-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718261
cis-(1S,2S)-N-[5-[7-[[4-(dimethylamino)cyclohexyl]-methylamino]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 167002538
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[methyl(pyridin-4-yl)amino]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718045
N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707330
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrol-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520334
cis-(1S,2S)-N-[5-(7-ethoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718123
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(3-fluoro-3-methylazetidin-1-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718290
cis-(1S,2S)-N-[5-(5-chloro-6-fluoro-7-pyrrolidin-1-yl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718281

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,N-dimethyl-1H-indazole-5-carboxamide?
The IUPAC name of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide (CID 164718073) is 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide is CN(C)C(=O)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of 6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide?
The InChIKey is AIAMMWPZGRHHCP-OCCSQVGLSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-28(2)21(31)19-15(23)8-16-13(9-24-26-16)18(19)10-3-4-29-11(5-10)6-17(27-29)25-20(30)12-7-14(12)22/h3-6,8-9,12,14H,7H2,1-2H3,(H,24,26)(H,25,27,30)/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,N-dimethyl-1H-indazole-5-carboxamide?
6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-N,N-dimethyl-1H-indazole-5-carboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 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,N-dimethyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 164718073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).