cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C23H20ClF2N5O2 — CID 165070262

IUPACcis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)CC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C23H20ClF2N5O2/c1-10(5-11(2)32)18-21(26)20(24)19(15-9-27-29-22(15)18)12-3-4-31-13(6-12)7-17(30-31)28-23(33)14-8-16(14)25/h3-4,6-7,9-10,14,16H,5,8H2,1-2H3,(H,27,29)(H,28,30,33)/t10?,14-,16+/m1/s1
InChIKeySQIMZTFDEVXUAD-OWJAWUPLSA-N
MW471.90 g/mol
LogP5.05
Rot. Bonds6

About cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 165070262) has the molecular formula C23H20ClF2N5O2 and a molecular weight of 471.90 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID165070262
Molecular FormulaC23H20ClF2N5O2
Molecular Weight471.90 g/mol
Exact Mass471.13
IUPAC Namecis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)CC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C23H20ClF2N5O2/c1-10(5-11(2)32)18-21(26)20(24)19(15-9-27-29-22(15)18)12-3-4-31-13(6-12)7-17(30-31)28-23(33)14-8-16(14)25/h3-4,6-7,9-10,14,16H,5,8H2,1-2H3,(H,27,29)(H,28,30,33)/t10?,14-,16+/m1/s1
InChIKeySQIMZTFDEVXUAD-OWJAWUPLSA-N
XLogP5.05
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.90
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-N-[5-[5-chloro-7-(4-cyclobutyl-4-oxobutan-2-yl)-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164999298
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-(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-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-(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
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
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-ethoxy-5-methyl-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718123
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
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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 165070262) is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)CC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SQIMZTFDEVXUAD-OWJAWUPLSA-N. The full InChI is InChI=1S/C23H20ClF2N5O2/c1-10(5-11(2)32)18-21(26)20(24)19(15-9-27-29-22(15)18)12-3-4-31-13(6-12)7-17(30-31)28-23(33)14-8-16(14)25/h3-4,6-7,9-10,14,16H,5,8H2,1-2H3,(H,27,29)(H,28,30,33)/t10?,14-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 471.90 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 165070262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).