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

C20H16ClF2N5O2 — CID 163221205

IUPACcis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H16ClF2N5O2/c1-2-30-19-17(23)16(21)15(12-8-24-26-18(12)19)9-3-4-28-10(5-9)6-14(27-28)25-20(29)11-7-13(11)22/h3-6,8,11,13H,2,7H2,1H3,(H,24,26)(H,25,27,29)/t11-,13+/m1/s1
InChIKeyCQNZZJIQFHYRTQ-YPMHNXCESA-N
MW431.83 g/mol
LogP4.37
Rot. Bonds5

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

cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 163221205) has the molecular formula C20H16ClF2N5O2 and a molecular weight of 431.83 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID163221205
Molecular FormulaC20H16ClF2N5O2
Molecular Weight431.83 g/mol
Exact Mass431.10
IUPAC Namecis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(Cl)c(-c2ccn3nc(NC(=O)[C@@H]4C[C@@H]4F)cc3c2)c2cn[nH]c12
InChIInChI=1S/C20H16ClF2N5O2/c1-2-30-19-17(23)16(21)15(12-8-24-26-18(12)19)9-3-4-28-10(5-9)6-14(27-28)25-20(29)11-7-13(11)22/h3-6,8,11,13H,2,7H2,1H3,(H,24,26)(H,25,27,29)/t11-,13+/m1/s1
InChIKeyCQNZZJIQFHYRTQ-YPMHNXCESA-N
XLogP4.37
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 54.37
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-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 163221205) is cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-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-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(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-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is CQNZZJIQFHYRTQ-YPMHNXCESA-N. The full InChI is InChI=1S/C20H16ClF2N5O2/c1-2-30-19-17(23)16(21)15(12-8-24-26-18(12)19)9-3-4-28-10(5-9)6-14(27-28)25-20(29)11-7-13(11)22/h3-6,8,11,13H,2,7H2,1H3,(H,24,26)(H,25,27,29)/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-(5-chloro-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 431.83 g/mol, XLogP of 4.37, 5 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-7-ethoxy-6-fluoro-1H-indazol-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163221205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).