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

C19H13ClF3N5O — CID 164520270

IUPACcis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3c(Cl)c(F)c(CF)c4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H13ClF3N5O/c20-16-15(12-7-24-26-18(12)11(6-21)17(16)23)8-1-2-28-9(3-8)4-14(27-28)25-19(29)10-5-13(10)22/h1-4,7,10,13H,5-6H2,(H,24,26)(H,25,27,29)/t10-,13+/m1/s1
InChIKeyPFQRSWMHDTYZFN-MFKMUULPSA-N
MW419.79 g/mol
LogP4.44
Rot. Bonds4

About cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-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-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520270) has the molecular formula C19H13ClF3N5O and a molecular weight of 419.79 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-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-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520270
Molecular FormulaC19H13ClF3N5O
Molecular Weight419.79 g/mol
Exact Mass419.08
IUPAC Namecis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3c(Cl)c(F)c(CF)c4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H13ClF3N5O/c20-16-15(12-7-24-26-18(12)11(6-21)17(16)23)8-1-2-28-9(3-8)4-14(27-28)25-19(29)10-5-13(10)22/h1-4,7,10,13H,5-6H2,(H,24,26)(H,25,27,29)/t10-,13+/m1/s1
InChIKeyPFQRSWMHDTYZFN-MFKMUULPSA-N
XLogP4.44
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-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-[5-chloro-6-fluoro-7-(fluoromethyl)-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-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520270) is cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-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-(fluoromethyl)-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-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cc2cc(-c3c(Cl)c(F)c(CF)c4[nH]ncc34)ccn2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is PFQRSWMHDTYZFN-MFKMUULPSA-N. The full InChI is InChI=1S/C19H13ClF3N5O/c20-16-15(12-7-24-26-18(12)11(6-21)17(16)23)8-1-2-28-9(3-8)4-14(27-28)25-19(29)10-5-13(10)22/h1-4,7,10,13H,5-6H2,(H,24,26)(H,25,27,29)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-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-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 419.79 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[5-chloro-6-fluoro-7-(fluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).