2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide

C26H23N3O2 — CID 134138943

IUPAC2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C26H23N3O2/c1-17-14-23(17)26(30)27-19-8-5-9-20(15-19)31-21-11-12-22-24(28-29-25(22)16-21)13-10-18-6-3-2-4-7-18/h2-13,15-17,23H,14H2,1H3,(H,27,30)(H,28,29)/b13-10+
InChIKeyRCMDUVONVDJPAY-JLHYYAGUSA-N
MW409.49 g/mol
LogP6.12
Rot. Bonds6

About 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 134138943) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide
PubChem CID134138943
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C26H23N3O2/c1-17-14-23(17)26(30)27-19-8-5-9-20(15-19)31-21-11-12-22-24(28-29-25(22)16-21)13-10-18-6-3-2-4-7-18/h2-13,15-17,23H,14H2,1H3,(H,27,30)(H,28,29)/b13-10+
InChIKeyRCMDUVONVDJPAY-JLHYYAGUSA-N
XLogP6.12
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide (CID 134138943) is 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is RCMDUVONVDJPAY-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17-14-23(17)26(30)27-19-8-5-9-20(15-19)31-21-11-12-22-24(28-29-25(22)16-21)13-10-18-6-3-2-4-7-18/h2-13,15-17,23H,14H2,1H3,(H,27,30)(H,28,29)/b13-10+.
What are the key properties of 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134138943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).