2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide

C25H23N7O2 — CID 135779177

IUPAC2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C25H23N7O2/c1-3-32-24(11-16(2)31-32)25(33)28-17-5-4-6-19(12-17)34-20-8-9-21-22(29-30-23(21)13-20)10-7-18-14-26-15-27-18/h4-15H,3H2,1-2H3,(H,26,27)(H,28,33)(H,29,30)/b10-7+
InChIKeySZABJAFAVUMGGP-JXMROGBWSA-N
MW453.51 g/mol
LogP5.03
Rot. Bonds7

About 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 135779177) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID135779177
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1
InChIInChI=1S/C25H23N7O2/c1-3-32-24(11-16(2)31-32)25(33)28-17-5-4-6-19(12-17)34-20-8-9-21-22(29-30-23(21)13-20)10-7-18-14-26-15-27-18/h4-15H,3H2,1-2H3,(H,26,27)(H,28,33)(H,29,30)/b10-7+
InChIKeySZABJAFAVUMGGP-JXMROGBWSA-N
XLogP5.03
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.51
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide (CID 135779177) is 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cccc(Oc2ccc3c(/C=C/c4cnc[nH]4)n[nH]c3c2)c1.
What is the InChIKey of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is SZABJAFAVUMGGP-JXMROGBWSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-3-32-24(11-16(2)31-32)25(33)28-17-5-4-6-19(12-17)34-20-8-9-21-22(29-30-23(21)13-20)10-7-18-14-26-15-27-18/h4-15H,3H2,1-2H3,(H,26,27)(H,28,33)(H,29,30)/b10-7+.
What are the key properties of 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 5.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[[3-[(E)-2-(1H-imidazol-5-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 135779177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).