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

C22H16ClF2N9O — CID 164520430

IUPACcis-(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
SMILESCN(c1nccnn1)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H16ClF2N9O/c1-33(22-26-3-4-27-31-22)20-18(25)17(23)16(13-9-28-30-19(13)20)10-2-5-34-11(6-10)7-15(32-34)29-21(35)12-8-14(12)24/h2-7,9,12,14H,8H2,1H3,(H,28,30)(H,29,32,35)/t12-,14+/m1/s1
InChIKeyPHHYGRZJCAODNW-OCCSQVGLSA-N
MW495.88 g/mol
LogP3.92
Rot. Bonds5

About 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

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 (PubChem CID 164520430) has the molecular formula C22H16ClF2N9O and a molecular weight of 495.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecis-(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
PubChem CID164520430
Molecular FormulaC22H16ClF2N9O
Molecular Weight495.88 g/mol
Exact Mass495.11
IUPAC Namecis-(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
SMILESCN(c1nccnn1)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H16ClF2N9O/c1-33(22-26-3-4-27-31-22)20-18(25)17(23)16(13-9-28-30-19(13)20)10-2-5-34-11(6-10)7-15(32-34)29-21(35)12-8-14(12)24/h2-7,9,12,14H,8H2,1H3,(H,28,30)(H,29,32,35)/t12-,14+/m1/s1
InChIKeyPHHYGRZJCAODNW-OCCSQVGLSA-N
XLogP3.92
TPSA116.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.88
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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-(4-oxopentan-2-yl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 165070262
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
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
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
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-[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-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
cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164718115
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1nccnn1)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-[methyl(1,2,4-triazin-3-yl)amino]-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PHHYGRZJCAODNW-OCCSQVGLSA-N. The full InChI is InChI=1S/C22H16ClF2N9O/c1-33(22-26-3-4-27-31-22)20-18(25)17(23)16(13-9-28-30-19(13)20)10-2-5-34-11(6-10)7-15(32-34)29-21(35)12-8-14(12)24/h2-7,9,12,14H,8H2,1H3,(H,28,30)(H,29,32,35)/t12-,14+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 495.88 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164520430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).