methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate

C24H21FN2O3S — CID 10225004

IUPACmethyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)COC=C2CCN1C=CC(c2c[nH]c3cc(F)ccc23)=CC1
InChIInChI=1S/C24H21FN2O3S/c1-29-24(28)22-11-19-16(13-30-14-23(19)31-22)6-9-27-7-4-15(5-8-27)20-12-26-21-10-17(25)2-3-18(20)21/h2-5,7,10-13,26H,6,8-9,14H2,1H3
InChIKeyHQRPZQUENFQYEH-UHFFFAOYSA-N
MW436.51 g/mol
LogP5.33
Rot. Bonds5

About methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate

methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate (PubChem CID 10225004) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate
PubChem CID10225004
Molecular FormulaC24H21FN2O3S
Molecular Weight436.51 g/mol
Exact Mass436.13
IUPAC Namemethyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate
SMILESCOC(=O)c1cc2c(s1)COC=C2CCN1C=CC(c2c[nH]c3cc(F)ccc23)=CC1
InChIInChI=1S/C24H21FN2O3S/c1-29-24(28)22-11-19-16(13-30-14-23(19)31-22)6-9-27-7-4-15(5-8-27)20-12-26-21-10-17(25)2-3-18(20)21/h2-5,7,10-13,26H,6,8-9,14H2,1H3
InChIKeyHQRPZQUENFQYEH-UHFFFAOYSA-N
XLogP5.33
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
ethyl 2-(2-((1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4178118
ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 4693061
Ethyl 2-[[2-[1-[2-[(2-fluorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5019563
[2-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] thiophene-2-carboxylate
CID 16745596
1-benzothiophen-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]carbamate
CID 44359094
ethyl 4-[4-[1-(5-cyano-1H-indol-3-yl)-7-fluoro-3-thiophen-3-yl-1H-isoquinolin-2-yl]phenyl]-2-fluorobenzoate
CID 53301480
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
methyl 2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole-6-carboxylate
CID 155514785
US10947222, Example 60
CID 134521977
DIM-C-pPhCO2Me
CID 15637614

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate?
The IUPAC name of methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate (CID 10225004) is methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate?
The canonical SMILES for methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate is COC(=O)c1cc2c(s1)COC=C2CCN1C=CC(c2c[nH]c3cc(F)ccc23)=CC1.
What is the InChIKey of methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate?
The InChIKey is HQRPZQUENFQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-29-24(28)22-11-19-16(13-30-14-23(19)31-22)6-9-27-7-4-15(5-8-27)20-12-26-21-10-17(25)2-3-18(20)21/h2-5,7,10-13,26H,6,8-9,14H2,1H3.
What are the key properties of methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate?
methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[4-(6-fluoro-1H-indol-3-yl)-2H-pyridin-1-yl]ethyl]-7H-thieno[2,3-c]pyran-2-carboxylate is sourced from PubChem (CID 10225004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).