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

C20H14ClF2N5O2 — CID 164718057

IUPACcis-(1S,2S)-N-[5-(7-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H14ClF2N5O2/c1-8(29)15-18(23)17(21)16(12-7-24-26-19(12)15)9-2-3-28-10(4-9)5-14(27-28)25-20(30)11-6-13(11)22/h2-5,7,11,13H,6H2,1H3,(H,24,26)(H,25,27,30)/t11-,13+/m1/s1
InChIKeyAMZITERGBHPJPZ-YPMHNXCESA-N
MW429.81 g/mol
LogP4.17
Rot. Bonds4

About cis-(1S,2S)-N-[5-(7-acetyl-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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718057) has the molecular formula C20H14ClF2N5O2 and a molecular weight of 429.81 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(7-acetyl-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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718057
Molecular FormulaC20H14ClF2N5O2
Molecular Weight429.81 g/mol
Exact Mass429.08
IUPAC Namecis-(1S,2S)-N-[5-(7-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCC(=O)c1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H14ClF2N5O2/c1-8(29)15-18(23)17(21)16(12-7-24-26-19(12)15)9-2-3-28-10(4-9)5-14(27-28)25-20(30)11-6-13(11)22/h2-5,7,11,13H,6H2,1H3,(H,24,26)(H,25,27,30)/t11-,13+/m1/s1
InChIKeyAMZITERGBHPJPZ-YPMHNXCESA-N
XLogP4.17
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.81
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-(7-acetyl-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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718057) is cis-(1S,2S)-N-[5-(7-acetyl-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-acetyl-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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CC(=O)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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is AMZITERGBHPJPZ-YPMHNXCESA-N. The full InChI is InChI=1S/C20H14ClF2N5O2/c1-8(29)15-18(23)17(21)16(12-7-24-26-19(12)15)9-2-3-28-10(4-9)5-14(27-28)25-20(30)11-6-13(11)22/h2-5,7,11,13H,6H2,1H3,(H,24,26)(H,25,27,30)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(7-acetyl-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-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 429.81 g/mol, XLogP of 4.17, 4 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-(7-acetyl-5-chloro-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).