7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide

C23H24FN3O2S — CID 10273990

IUPAC7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide
SMILESNC(=O)c1cc2c(s1)C(CCN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)OCC2
InChIInChI=1S/C23H24FN3O2S/c24-16-1-2-17-18(13-26-19(17)12-16)14-3-7-27(8-4-14)9-5-20-22-15(6-10-29-20)11-21(30-22)23(25)28/h1-3,11-13,20,26H,4-10H2,(H2,25,28)
InChIKeyRKXDJAAPUKVNOK-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.26
Rot. Bonds5

About 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide

7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide (PubChem CID 10273990) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide.

Molecular Properties

Compound Name7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide
PubChem CID10273990
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC Name7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide
SMILESNC(=O)c1cc2c(s1)C(CCN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)OCC2
InChIInChI=1S/C23H24FN3O2S/c24-16-1-2-17-18(13-26-19(17)12-16)14-3-7-27(8-4-14)9-5-20-22-15(6-10-29-20)11-21(30-22)23(25)28/h1-3,11-13,20,26H,4-10H2,(H2,25,28)
InChIKeyRKXDJAAPUKVNOK-UHFFFAOYSA-N
XLogP4.26
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide?
The IUPAC name of 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide (CID 10273990) is 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide.
What is the SMILES notation for 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide?
The canonical SMILES for 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide is NC(=O)c1cc2c(s1)C(CCN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)OCC2.
What is the InChIKey of 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide?
The InChIKey is RKXDJAAPUKVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c24-16-1-2-17-18(13-26-19(17)12-16)14-3-7-27(8-4-14)9-5-20-22-15(6-10-29-20)11-21(30-22)23(25)28/h1-3,11-13,20,26H,4-10H2,(H2,25,28).
What are the key properties of 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide?
7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-2-carboxamide is sourced from PubChem (CID 10273990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).