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

C21H16F5N5O — CID 164520392

IUPACcis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1c(F)c(C(F)(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H16F5N5O/c1-2-11-16(13-8-27-29-19(13)17(18(11)23)21(24,25)26)9-3-4-31-10(5-9)6-15(30-31)28-20(32)12-7-14(12)22/h3-6,8,12,14H,2,7H2,1H3,(H,27,29)(H,28,30,32)/t12-,14+/m1/s1
InChIKeyVGFAYYBSPPPODC-OCCSQVGLSA-N
MW449.38 g/mol
LogP4.89
Rot. Bonds4

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

cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520392) has the molecular formula C21H16F5N5O and a molecular weight of 449.38 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520392
Molecular FormulaC21H16F5N5O
Molecular Weight449.38 g/mol
Exact Mass449.13
IUPAC Namecis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCc1c(F)c(C(F)(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H16F5N5O/c1-2-11-16(13-8-27-29-19(13)17(18(11)23)21(24,25)26)9-3-4-31-10(5-9)6-15(30-31)28-20(32)12-7-14(12)22/h3-6,8,12,14H,2,7H2,1H3,(H,27,29)(H,28,30,32)/t12-,14+/m1/s1
InChIKeyVGFAYYBSPPPODC-OCCSQVGLSA-N
XLogP4.89
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-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-ethyl-6-fluoro-7-(trifluoromethyl)-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-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520392) is cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-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-ethyl-6-fluoro-7-(trifluoromethyl)-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-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCc1c(F)c(C(F)(F)F)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is VGFAYYBSPPPODC-OCCSQVGLSA-N. The full InChI is InChI=1S/C21H16F5N5O/c1-2-11-16(13-8-27-29-19(13)17(18(11)23)21(24,25)26)9-3-4-31-10(5-9)6-15(30-31)28-20(32)12-7-14(12)22/h3-6,8,12,14H,2,7H2,1H3,(H,27,29)(H,28,30,32)/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[5-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 4.89, 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-ethyl-6-fluoro-7-(trifluoromethyl)-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).