2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C21H23F3N4O3 — CID 134809900

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1cccnc1
InChIInChI=1S/C21H23F3N4O3/c1-20(2,19(29)26-13-21(22,23)24)31-18-16-9-14(12-30-3)6-7-17(16)28(27-18)11-15-5-4-8-25-10-15/h4-10H,11-13H2,1-3H3,(H,26,29)
InChIKeyYYBHVUYTVPUKDC-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.46
Rot. Bonds8

About 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 134809900) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID134809900
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1cccnc1
InChIInChI=1S/C21H23F3N4O3/c1-20(2,19(29)26-13-21(22,23)24)31-18-16-9-14(12-30-3)6-7-17(16)28(27-18)11-15-5-4-8-25-10-15/h4-10H,11-13H2,1-3H3,(H,26,29)
InChIKeyYYBHVUYTVPUKDC-UHFFFAOYSA-N
XLogP3.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide with MolForge

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Related Compounds

Azd-2906
CID 25013811
H3B-6545
CID 124091099
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]propanamide
CID 145964914
US9914735, Example 10
CID 118386426
(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide
CID 124091040
N-[[1-(2-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45273599
2,2-difluoro-N-[(1R,2S)-1-[1-(6-methoxy-3-pyridinyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]propanamide
CID 145965716
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)-3-phenylpropan-2-yl]propanamide
CID 145966706
2,2-difluoro-N-[(1S,2R)-2-[1-(4-fluorophenyl)indazol-5-yl]oxy-2-(6-methoxy-3-pyridinyl)-1-[(2-methylpropan-2-yl)oxy]ethyl]propanamide
CID 145976543
US9914735, Example 60
CID 118401285
US9914735, Example 51
CID 118401290
US9914735, Example 61
CID 122498425

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 134809900) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC(F)(F)F)nn2Cc1cccnc1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YYBHVUYTVPUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-20(2,19(29)26-13-21(22,23)24)31-18-16-9-14(12-30-3)6-7-17(16)28(27-18)11-15-5-4-8-25-10-15/h4-10H,11-13H2,1-3H3,(H,26,29).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 436.43 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 134809900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).