2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide

C26H22N6O2 — CID 22978061

IUPAC2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C)n1
InChIInChI=1S/C26H22N6O2/c1-17-14-25(32(2)31-17)26(33)28-19-7-5-8-20(15-19)34-21-10-11-22-23(29-30-24(22)16-21)12-9-18-6-3-4-13-27-18/h3-16H,1-2H3,(H,28,33)(H,29,30)/b12-9+
InChIKeyGPSKFZGUBIZBTM-FMIVXFBMSA-N
MW450.50 g/mol
LogP5.21
Rot. Bonds6

About 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (PubChem CID 22978061) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
PubChem CID22978061
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C)n1
InChIInChI=1S/C26H22N6O2/c1-17-14-25(32(2)31-17)26(33)28-19-7-5-8-20(15-19)34-21-10-11-22-23(29-30-24(22)16-21)12-9-18-6-3-4-13-27-18/h3-16H,1-2H3,(H,28,33)(H,29,30)/b12-9+
InChIKeyGPSKFZGUBIZBTM-FMIVXFBMSA-N
XLogP5.21
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide (CID 22978061) is 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
The InChIKey is GPSKFZGUBIZBTM-FMIVXFBMSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-17-14-25(32(2)31-17)26(33)28-19-7-5-8-20(15-19)34-21-10-11-22-23(29-30-24(22)16-21)12-9-18-6-3-4-13-27-18/h3-16H,1-2H3,(H,28,33)(H,29,30)/b12-9+.
What are the key properties of 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 22978061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).