cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

C21H19F2N5O3 — CID 164520346

IUPACcis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)c(OCCO)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H19F2N5O3/c1-10-17(14-9-24-26-19(14)20(18(10)23)31-5-4-29)11-2-3-28-12(6-11)7-16(27-28)25-21(30)13-8-15(13)22/h2-3,6-7,9,13,15,29H,4-5,8H2,1H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1
InChIKeyATBAPHRLLXWACB-HIFRSBDPSA-N
MW427.41 g/mol
LogP2.99
Rot. Bonds6

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

cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164520346) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID164520346
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Namecis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)c(OCCO)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C21H19F2N5O3/c1-10-17(14-9-24-26-19(14)20(18(10)23)31-5-4-29)11-2-3-28-12(6-11)7-16(27-28)25-21(30)13-8-15(13)22/h2-3,6-7,9,13,15,29H,4-5,8H2,1H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1
InChIKeyATBAPHRLLXWACB-HIFRSBDPSA-N
XLogP2.99
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 164520346) is cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1c(F)c(OCCO)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is ATBAPHRLLXWACB-HIFRSBDPSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-10-17(14-9-24-26-19(14)20(18(10)23)31-5-4-29)11-2-3-28-12(6-11)7-16(27-28)25-21(30)13-8-15(13)22/h2-3,6-7,9,13,15,29H,4-5,8H2,1H3,(H,24,26)(H,25,27,30)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[5-[6-fluoro-7-(2-hydroxyethoxy)-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164520346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).