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

C23H23F2N7O3 — CID 164718115

IUPACcis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(OCCN(C)C(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C23H23F2N7O3/c1-11-18(15-10-27-29-20(15)21(19(11)25)35-6-5-31(2)23(26)34)12-3-4-32-13(7-12)8-17(30-32)28-22(33)14-9-16(14)24/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3,(H2,26,34)(H,27,29)(H,28,30,33)/t14-,16+/m1/s1
InChIKeySEEWLBPLFPHNRL-ZBFHGGJFSA-N
MW483.48 g/mol
LogP3.01
Rot. Bonds7

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

cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164718115) has the molecular formula C23H23F2N7O3 and a molecular weight of 483.48 g/mol. Its IUPAC name is cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164718115
Molecular FormulaC23H23F2N7O3
Molecular Weight483.48 g/mol
Exact Mass483.18
IUPAC Namecis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCc1c(F)c(OCCN(C)C(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C23H23F2N7O3/c1-11-18(15-10-27-29-20(15)21(19(11)25)35-6-5-31(2)23(26)34)12-3-4-32-13(7-12)8-17(30-32)28-22(33)14-9-16(14)24/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3,(H2,26,34)(H,27,29)(H,28,30,33)/t14-,16+/m1/s1
InChIKeySEEWLBPLFPHNRL-ZBFHGGJFSA-N
XLogP3.01
TPSA130.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-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-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-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-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164718115) is cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-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-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-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-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is Cc1c(F)c(OCCN(C)C(N)=O)c2[nH]ncc2c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SEEWLBPLFPHNRL-ZBFHGGJFSA-N. The full InChI is InChI=1S/C23H23F2N7O3/c1-11-18(15-10-27-29-20(15)21(19(11)25)35-6-5-31(2)23(26)34)12-3-4-32-13(7-12)8-17(30-32)28-22(33)14-9-16(14)24/h3-4,7-8,10,14,16H,5-6,9H2,1-2H3,(H2,26,34)(H,27,29)(H,28,30,33)/t14-,16+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 483.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[5-[7-[2-[carbamoyl(methyl)amino]ethoxy]-6-fluoro-5-methyl-1H-indazol-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164718115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).