N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide

C18H19F2N5O2 — CID 167800340

IUPACN-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide
SMILESCCn1ncc(C)c1NC(=O)C(=O)NCCc1c[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C18H19F2N5O2/c1-3-25-16(10(2)8-23-25)24-18(27)17(26)21-5-4-11-9-22-14-7-12(19)6-13(20)15(11)14/h6-9,22H,3-5H2,1-2H3,(H,21,26)(H,24,27)
InChIKeyTUFCSINMKLXIKB-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide

N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide (PubChem CID 167800340) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide
PubChem CID167800340
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC NameN-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide
SMILESCCn1ncc(C)c1NC(=O)C(=O)NCCc1c[nH]c2cc(F)cc(F)c12
InChIInChI=1S/C18H19F2N5O2/c1-3-25-16(10(2)8-23-25)24-18(27)17(26)21-5-4-11-9-22-14-7-12(19)6-13(20)15(11)14/h6-9,22H,3-5H2,1-2H3,(H,21,26)(H,24,27)
InChIKeyTUFCSINMKLXIKB-UHFFFAOYSA-N
XLogP2.27
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(4,6-difluoro-1H-indol-3-yl)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 167898106
1-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-3-methylpyrrolidin-3-ol
CID 169001103
N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 610660
N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
N-[2-(4-fluoro-2,6-dihydro-1H-furo[3,2-e]indol-8-yl)ethyl]propanamide
CID 44626256
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
CID 167831605
1-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49408553
N-[(Z)-1-(1-ethylindol-3-yl)-3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 17038047
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide?
The IUPAC name of N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide (CID 167800340) is N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide.
What is the SMILES notation for N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide?
The canonical SMILES for N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide is CCn1ncc(C)c1NC(=O)C(=O)NCCc1c[nH]c2cc(F)cc(F)c12.
What is the InChIKey of N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide?
The InChIKey is TUFCSINMKLXIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-3-25-16(10(2)8-23-25)24-18(27)17(26)21-5-4-11-9-22-14-7-12(19)6-13(20)15(11)14/h6-9,22H,3-5H2,1-2H3,(H,21,26)(H,24,27).
What are the key properties of N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide?
N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide has a molecular weight of 375.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-difluoro-1H-indol-3-yl)ethyl]-N'-(1-ethyl-4-methylpyrazol-5-yl)oxamide is sourced from PubChem (CID 167800340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).