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

C22H19ClF2N6O2 — CID 166990590

IUPACcis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)NC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O2/c1-9(27-10(2)32)17-20(25)19(23)18(14-8-26-29-21(14)17)11-3-4-31-12(5-11)6-16(30-31)28-22(33)13-7-15(13)24/h3-6,8-9,13,15H,7H2,1-2H3,(H,26,29)(H,27,32)(H,28,30,33)/t9?,13-,15+/m1/s1
InChIKeyTYZLYGJALCMOEU-RJGUCTMASA-N
MW472.88 g/mol
LogP4.16
Rot. Bonds5

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

cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 166990590) has the molecular formula C22H19ClF2N6O2 and a molecular weight of 472.88 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID166990590
Molecular FormulaC22H19ClF2N6O2
Molecular Weight472.88 g/mol
Exact Mass472.12
IUPAC Namecis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)NC(C)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C22H19ClF2N6O2/c1-9(27-10(2)32)17-20(25)19(23)18(14-8-26-29-21(14)17)11-3-4-31-12(5-11)6-16(30-31)28-22(33)13-7-15(13)24/h3-6,8-9,13,15H,7H2,1-2H3,(H,26,29)(H,27,32)(H,28,30,33)/t9?,13-,15+/m1/s1
InChIKeyTYZLYGJALCMOEU-RJGUCTMASA-N
XLogP4.16
TPSA104.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.88
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 166990590) is cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-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-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)NC(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-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is TYZLYGJALCMOEU-RJGUCTMASA-N. The full InChI is InChI=1S/C22H19ClF2N6O2/c1-9(27-10(2)32)17-20(25)19(23)18(14-8-26-29-21(14)17)11-3-4-31-12(5-11)6-16(30-31)28-22(33)13-7-15(13)24/h3-6,8-9,13,15H,7H2,1-2H3,(H,26,29)(H,27,32)(H,28,30,33)/t9?,13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 472.88 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[7-(1-acetamidoethyl)-5-chloro-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 166990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).