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)

C26H21F11N6O7 — CID 164987048

IUPACcis-(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)
SMILESCN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18F2N6O.3C2HF3O2/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21;3*3-2(4,5)1(6)7/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29);3*(H,6,7)/t12-,14+;;;/m1.../s1
InChIKeyYFKFRAOMOWFOCC-JKYCWFKZSA-N
MW738.47 g/mol
LogP5.28
Rot. Bonds4

About 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)

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) (PubChem CID 164987048) has the molecular formula C26H21F11N6O7 and a molecular weight of 738.47 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namecis-(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)
PubChem CID164987048
Molecular FormulaC26H21F11N6O7
Molecular Weight738.47 g/mol
Exact Mass738.13
IUPAC Namecis-(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)
SMILESCN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C20H18F2N6O.3C2HF3O2/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21;3*3-2(4,5)1(6)7/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29);3*(H,6,7)/t12-,14+;;;/m1.../s1
InChIKeyYFKFRAOMOWFOCC-JKYCWFKZSA-N
XLogP5.28
TPSA190.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.47
LogP ≤ 55.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-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)-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-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-[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
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-[methyl(1,2,4-triazin-3-yl)amino]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520430
tert-butyl N-[[5-chloro-6-fluoro-4-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazolo[1,5-a]pyridin-5-yl]-1H-indazol-7-yl]amino]-N-methylcarbamate
CID 164718050
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 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CN(C)c1c(F)cc2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is YFKFRAOMOWFOCC-JKYCWFKZSA-N. The full InChI is InChI=1S/C20H18F2N6O.3C2HF3O2/c1-27(2)19-15(22)8-16-13(9-23-25-16)18(19)10-3-4-28-11(5-10)6-17(26-28)24-20(29)12-7-14(12)21;3*3-2(4,5)1(6)7/h3-6,8-9,12,14H,7H2,1-2H3,(H,23,25)(H,24,26,29);3*(H,6,7)/t12-,14+;;;/m1.../s1.
What are the key properties of 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)?
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) has a molecular weight of 738.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 164987048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).