4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

C20H19FN4O2 — CID 164609148

IUPAC4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4cc(F)ccc34)c2C)no1
InChIInChI=1S/C20H19FN4O2/c1-10-6-17(25-27-10)12(3)24-20(26)19-11(2)15(8-23-19)16-9-22-18-7-13(21)4-5-14(16)18/h4-9,12,22-23H,1-3H3,(H,24,26)
InChIKeyFNWWPAXCHXZHER-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.40
Rot. Bonds4

About 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide

4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 164609148) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID164609148
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4cc(F)ccc34)c2C)no1
InChIInChI=1S/C20H19FN4O2/c1-10-6-17(25-27-10)12(3)24-20(26)19-11(2)15(8-23-19)16-9-22-18-7-13(21)4-5-14(16)18/h4-9,12,22-23H,1-3H3,(H,24,26)
InChIKeyFNWWPAXCHXZHER-UHFFFAOYSA-N
XLogP4.40
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(3-methylisoxazol-5-yl)-1H-indole-7-carboxamide
CID 507858
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-2-(1H-indol-3-ylmethyl)-4-[[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]methanone
CID 44408051
Piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(5-isoxazolylcarbonyl)-
CID 506358
3-ethyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 24983174
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217
3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 156500156
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2060921
N-(1H-indol-5-yl)-5-methyl-3-isoxazolecarboxamide
CID 2814136
N-(3-methyl-1,2-oxazol-5-yl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]indol-3-yl]-2-oxoacetamide
CID 10970526
1-pyridin-2-yl-2-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16190015
1-(6-methylpyridin-2-yl)-2-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylcarbonyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191512
N-[1-[1-(1H-indol-7-ylmethyl)pyrrolidin-3-yl]-2,3-dihydroindol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 44528369

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 164609148) is 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1cc(C(C)NC(=O)c2[nH]cc(-c3c[nH]c4cc(F)ccc34)c2C)no1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FNWWPAXCHXZHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-10-6-17(25-27-10)12(3)24-20(26)19-11(2)15(8-23-19)16-9-22-18-7-13(21)4-5-14(16)18/h4-9,12,22-23H,1-3H3,(H,24,26).
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)-3-methyl-N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164609148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).