7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide

C26H30F3N5O4 — CID 18765273

IUPAC7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C26H30F3N5O4/c1-36-22-4-2-3-19-23(31-34(24(19)22)8-7-32-9-13-37-14-10-32)25(35)30-20-17-18(26(27,28)29)5-6-21(20)33-11-15-38-16-12-33/h2-6,17H,7-16H2,1H3,(H,30,35)
InChIKeyPRDQNVKPDVEEFM-UHFFFAOYSA-N
MW533.55 g/mol
LogP3.48
Rot. Bonds7

About 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide

7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide (PubChem CID 18765273) has the molecular formula C26H30F3N5O4 and a molecular weight of 533.55 g/mol. Its IUPAC name is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
PubChem CID18765273
Molecular FormulaC26H30F3N5O4
Molecular Weight533.55 g/mol
Exact Mass533.22
IUPAC Name7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nn(CCN3CCOCC3)c12
InChIInChI=1S/C26H30F3N5O4/c1-36-22-4-2-3-19-23(31-34(24(19)22)8-7-32-9-13-37-14-10-32)25(35)30-20-17-18(26(27,28)29)5-6-21(20)33-11-15-38-16-12-33/h2-6,17H,7-16H2,1H3,(H,30,35)
InChIKeyPRDQNVKPDVEEFM-UHFFFAOYSA-N
XLogP3.48
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The IUPAC name of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide (CID 18765273) is 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The canonical SMILES for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide is COc1cccc2c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)nn(CCN3CCOCC3)c12.
What is the InChIKey of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
The InChIKey is PRDQNVKPDVEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O4/c1-36-22-4-2-3-19-23(31-34(24(19)22)8-7-32-9-13-37-14-10-32)25(35)30-20-17-18(26(27,28)29)5-6-21(20)33-11-15-38-16-12-33/h2-6,17H,7-16H2,1H3,(H,30,35).
What are the key properties of 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide?
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide has a molecular weight of 533.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(2-morpholin-4-ylethyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]indazole-3-carboxamide is sourced from PubChem (CID 18765273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).