methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

C30H24FN3O4 — CID 77402052

IUPACmethyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C30H24FN3O4/c1-37-30(36)28(17-20-18-32-26-6-3-2-5-24(20)26)34-29(35)27-8-4-7-25(33-27)19-9-13-22(14-10-19)38-23-15-11-21(31)12-16-23/h2-16,18,28,32H,17H2,1H3,(H,34,35)
InChIKeyWKBSJMWIJQWNSU-UHFFFAOYSA-N
MW509.54 g/mol
LogP5.68
Rot. Bonds8

About methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate

methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (PubChem CID 77402052) has the molecular formula C30H24FN3O4 and a molecular weight of 509.54 g/mol. Its IUPAC name is methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
PubChem CID77402052
Molecular FormulaC30H24FN3O4
Molecular Weight509.54 g/mol
Exact Mass509.18
IUPAC Namemethyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C30H24FN3O4/c1-37-30(36)28(17-20-18-32-26-6-3-2-5-24(20)26)34-29(35)27-8-4-7-25(33-27)19-9-13-22(14-10-19)38-23-15-11-21(31)12-16-23/h2-16,18,28,32H,17H2,1H3,(H,34,35)
InChIKeyWKBSJMWIJQWNSU-UHFFFAOYSA-N
XLogP5.68
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.54
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2,3-bis(4-fluorophenyl)quinoxaline-6-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 5276821
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methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
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methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
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methyl 2-[(4-aminobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
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methyl 2-[3-(4-fluorophenyl)prop-2-enoylamino]-3-(1H-indol-3-yl)propanoate
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methyl (2R)-3-(1H-indol-3-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 18086563
(4-fluorophenyl)methanamine;methyl (2S)-3-(1H-indol-3-yl)-2-(3-sulfanylpropanoylamino)propanoate
CID 162518776
methyl 3-(1H-indol-3-yl)-2-[[3-(2,3,4,5,6-pentafluorophenoxy)phenyl]carbamoylamino]propanoate
CID 3717369
methyl (2S)-2-[[3-acetyloxy-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 11146575

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate (CID 77402052) is methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
The InChIKey is WKBSJMWIJQWNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN3O4/c1-37-30(36)28(17-20-18-32-26-6-3-2-5-24(20)26)34-29(35)27-8-4-7-25(33-27)19-9-13-22(14-10-19)38-23-15-11-21(31)12-16-23/h2-16,18,28,32H,17H2,1H3,(H,34,35).
What are the key properties of methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate?
methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate has a molecular weight of 509.54 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 77402052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).