N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea

C46H48F3N13O3 — CID 118064852

IUPACN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea
SMILESCC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.Fc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1.NC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C17H19FN4O.C15H15FN4O.C14H14FN5O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21;1-10(21)17-4-5-20-9-11(7-19-20)14-8-18-15-6-12(16)2-3-13(14)15;15-10-1-2-11-12(7-18-13(11)5-10)9-6-19-20(8-9)4-3-17-14(16)21/h1-2,9-12,19H,3-8H2;2-3,6-9,18H,4-5H2,1H3,(H,17,21);1-2,5-8,18H,3-4H2,(H3,16,17,21)
InChIKeyUHEDMPDGJIBHSN-UHFFFAOYSA-N
MW887.97 g/mol
LogP6.65
Rot. Bonds12

About N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea

N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea (PubChem CID 118064852) has the molecular formula C46H48F3N13O3 and a molecular weight of 887.97 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea
PubChem CID118064852
Molecular FormulaC46H48F3N13O3
Molecular Weight887.97 g/mol
Exact Mass887.40
IUPAC NameN-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea
SMILESCC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.Fc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1.NC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C17H19FN4O.C15H15FN4O.C14H14FN5O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21;1-10(21)17-4-5-20-9-11(7-19-20)14-8-18-15-6-12(16)2-3-13(14)15;15-10-1-2-11-12(7-18-13(11)5-10)9-6-19-20(8-9)4-3-17-14(16)21/h1-2,9-12,19H,3-8H2;2-3,6-9,18H,4-5H2,1H3,(H,17,21);1-2,5-8,18H,3-4H2,(H3,16,17,21)
InChIKeyUHEDMPDGJIBHSN-UHFFFAOYSA-N
XLogP6.65
TPSA197.52 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.97
LogP ≤ 56.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea?
The IUPAC name of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea (CID 118064852) is N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea.
What is the SMILES notation for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea?
The canonical SMILES for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea is CC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.Fc1ccc2c(-c3cnn(CCN4CCOCC4)c3)c[nH]c2c1.NC(=O)NCCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea?
The InChIKey is UHEDMPDGJIBHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O.C15H15FN4O.C14H14FN5O/c18-14-1-2-15-16(11-19-17(15)9-14)13-10-20-22(12-13)4-3-21-5-7-23-8-6-21;1-10(21)17-4-5-20-9-11(7-19-20)14-8-18-15-6-12(16)2-3-13(14)15;15-10-1-2-11-12(7-18-13(11)5-10)9-6-19-20(8-9)4-3-17-14(16)21/h1-2,9-12,19H,3-8H2;2-3,6-9,18H,4-5H2,1H3,(H,17,21);1-2,5-8,18H,3-4H2,(H3,16,17,21).
What are the key properties of N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea?
N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea has a molecular weight of 887.97 g/mol, XLogP of 6.65, 12 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]acetamide;4-[2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethyl]morpholine;2-[4-(6-fluoro-1H-indol-3-yl)pyrazol-1-yl]ethylurea is sourced from PubChem (CID 118064852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).