5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole

C26H24ClFN4O3 — CID 135298101

IUPAC5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19-/m1/s1
InChIKeyHQPFEOJETBUZDY-CHWBAOHUSA-N
MW494.95 g/mol
LogP6.09
Rot. Bonds7

About 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole

5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole (PubChem CID 135298101) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
PubChem CID135298101
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC Name5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole
SMILESCc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19-/m1/s1
InChIKeyHQPFEOJETBUZDY-CHWBAOHUSA-N
XLogP6.09
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole with MolForge

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Launch Full Analysis

Related Compounds

Ly-2874455
CID 46944259
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
8-((3,5-dichloropyridin-4-yl)methoxy)-2-methyl-4-(4-methyl-1H-pyrazol-3-yl)quinoline
CID 44189789
8-(3,5-dichloro-pyridin-4-ylmethoxy)-2-methyl-4-(2H-pyrazol-3-yl)-quinoline
CID 44191226
(E)-2-(4-(2-(5-(1-(3,5-Dichloropyridin-4-YL)ethoxy)-1H-indazol-3-YL)vinyl)-1H-pyrazol-1-YL)ethanol
CID 66646528
2-[4-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 66646767
US9675697, Cpd. No. 33
CID 90388367
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(1H-indol-2-yl)-1H-indazole
CID 137133122
5-(3,5-difluorophenoxy)-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 156734147
5-[(3,5-difluorophenyl)methoxy]-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 162664273
8-((3,5-dichloropyridin-4-yl)methoxy)-2-methyl-4-(5-methyl-1H-pyrazol-4-yl)quinoline
CID 44189790
1-chloro-8-methoxy-7-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indole
CID 90388075

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The IUPAC name of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole (CID 135298101) is 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole.
What is the SMILES notation for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The canonical SMILES for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole is Cc1cncc(Cl)c1[C@@H](C)Oc1ccc2n[nH]c(/C=C(\F)c3ccc(O[C@@H]4CCOC4)nc3)c2c1.
What is the InChIKey of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
The InChIKey is HQPFEOJETBUZDY-CHWBAOHUSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c1-15-11-29-13-21(27)26(15)16(2)34-18-4-5-23-20(9-18)24(32-31-23)10-22(28)17-3-6-25(30-12-17)35-19-7-8-33-14-19/h3-6,9-13,16,19H,7-8,14H2,1-2H3,(H,31,32)/b22-10-/t16-,19-/m1/s1.
What are the key properties of 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole?
5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole has a molecular weight of 494.95 g/mol, XLogP of 6.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(3-chloro-5-methyl-4-pyridinyl)ethoxy]-3-[(Z)-2-fluoro-2-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]ethenyl]-2H-indazole is sourced from PubChem (CID 135298101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).