methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate

C29H29FN4O3S — CID 176811570

IUPACmethyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate
SMILESCCc1cc(C)ncc1-c1cc(C2=CCCN(C(=O)CCc3nccs3)C2)c(F)c2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C29H29FN4O3S/c1-4-18-12-17(2)32-15-23(18)21-13-20(27(30)28-22(21)14-24(33-28)29(36)37-3)19-6-5-10-34(16-19)26(35)8-7-25-31-9-11-38-25/h6,9,11-15,33H,4-5,7-8,10,16H2,1-3H3
InChIKeyZQJDXZAONLMFSH-UHFFFAOYSA-N
MW532.64 g/mol
LogP5.73
Rot. Bonds7

About methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate

methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate (PubChem CID 176811570) has the molecular formula C29H29FN4O3S and a molecular weight of 532.64 g/mol. Its IUPAC name is methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate
PubChem CID176811570
Molecular FormulaC29H29FN4O3S
Molecular Weight532.64 g/mol
Exact Mass532.19
IUPAC Namemethyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate
SMILESCCc1cc(C)ncc1-c1cc(C2=CCCN(C(=O)CCc3nccs3)C2)c(F)c2[nH]c(C(=O)OC)cc12
InChIInChI=1S/C29H29FN4O3S/c1-4-18-12-17(2)32-15-23(18)21-13-20(27(30)28-22(21)14-24(33-28)29(36)37-3)19-6-5-10-34(16-19)26(35)8-7-25-31-9-11-38-25/h6,9,11-15,33H,4-5,7-8,10,16H2,1-3H3
InChIKeyZQJDXZAONLMFSH-UHFFFAOYSA-N
XLogP5.73
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate with MolForge

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Related Compounds

5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350108
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350250
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[2-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350379
1-[[2-fluoro-5-(1,3-thiazol-2-yl)phenyl]methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 58240882
methyl 2-[2-(5-fluoro-1H-indol-3-yl)ethyl-[5-(6-methoxy-3-pyridinyl)-2-methyl-1,3-thiazole-4-carbonyl]amino]acetate
CID 67394471
cyclopropylmethyl 2-[2-amino-1-(5-fluoro-1H-indol-3-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 67396796
1-[3-(4-Fluorophenyl)-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylic acid
CID 67496863
ethyl 6-[5-[5-cyano-1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]-1H-indole-2-carboxylate
CID 69233258
methyl 7-[(3R,4R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-thiophen-3-ylpyrrolidine-1-carbonyl]-1H-indole-2-carboxylate
CID 70257626
methyl 4-[2-[4-fluoro-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 117824962
methyl 1-[(2S)-3-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethylamino)propanoyl]-6-pyridin-4-yl-2,3-dihydroindole-4-carboxylate
CID 140648122
4-[2-fluoro-3-(1,3-thiazol-2-ylmethoxy)phenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 141365970

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate (CID 176811570) is methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate is CCc1cc(C)ncc1-c1cc(C2=CCCN(C(=O)CCc3nccs3)C2)c(F)c2[nH]c(C(=O)OC)cc12.
What is the InChIKey of methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate?
The InChIKey is ZQJDXZAONLMFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3S/c1-4-18-12-17(2)32-15-23(18)21-13-20(27(30)28-22(21)14-24(33-28)29(36)37-3)19-6-5-10-34(16-19)26(35)8-7-25-31-9-11-38-25/h6,9,11-15,33H,4-5,7-8,10,16H2,1-3H3.
What are the key properties of methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate?
methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate has a molecular weight of 532.64 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethyl-6-methyl-3-pyridinyl)-7-fluoro-6-[1-[3-(1,3-thiazol-2-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylate is sourced from PubChem (CID 176811570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).