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

C22H22F2N6O2 — CID 164718210

IUPACcis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(N(C)C)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C22H22F2N6O2/c1-4-32-21-17(14-10-25-27-19(14)20(18(21)24)29(2)3)11-5-6-30-12(7-11)8-16(28-30)26-22(31)13-9-15(13)23/h5-8,10,13,15H,4,9H2,1-3H3,(H,25,27)(H,26,28,31)/t13-,15+/m1/s1
InChIKeyMEZNSIZSXXCSSM-HIFRSBDPSA-N
MW440.45 g/mol
LogP3.78
Rot. Bonds6

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

cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718210) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-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-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718210
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC Namecis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCOc1c(F)c(N(C)C)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C22H22F2N6O2/c1-4-32-21-17(14-10-25-27-19(14)20(18(21)24)29(2)3)11-5-6-30-12(7-11)8-16(28-30)26-22(31)13-9-15(13)23/h5-8,10,13,15H,4,9H2,1-3H3,(H,25,27)(H,26,28,31)/t13-,15+/m1/s1
InChIKeyMEZNSIZSXXCSSM-HIFRSBDPSA-N
XLogP3.78
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-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-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718210) is cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-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-[7-(dimethylamino)-5-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-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is CCOc1c(F)c(N(C)C)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is MEZNSIZSXXCSSM-HIFRSBDPSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-4-32-21-17(14-10-25-27-19(14)20(18(21)24)29(2)3)11-5-6-30-12(7-11)8-16(28-30)26-22(31)13-9-15(13)23/h5-8,10,13,15H,4,9H2,1-3H3,(H,25,27)(H,26,28,31)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[7-(dimethylamino)-5-ethoxy-6-fluoro-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).