3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H25FN4OS — CID 110130485

IUPAC3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cc(CN2CCC(c3c(C(N)=O)sc4ncccc34)C2)c2ccc(F)cc21
InChIInChI=1S/C24H25FN4OS/c1-14(2)29-13-16(18-6-5-17(25)10-20(18)29)12-28-9-7-15(11-28)21-19-4-3-8-27-24(19)31-22(21)23(26)30/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,30)
InChIKeyMRKXAGANNUEXDG-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.06
Rot. Bonds5

About 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130485) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130485
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC Name3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)n1cc(CN2CCC(c3c(C(N)=O)sc4ncccc34)C2)c2ccc(F)cc21
InChIInChI=1S/C24H25FN4OS/c1-14(2)29-13-16(18-6-5-17(25)10-20(18)29)12-28-9-7-15(11-28)21-19-4-3-8-27-24(19)31-22(21)23(26)30/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,30)
InChIKeyMRKXAGANNUEXDG-UHFFFAOYSA-N
XLogP5.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110130485) is 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CC(C)n1cc(CN2CCC(c3c(C(N)=O)sc4ncccc34)C2)c2ccc(F)cc21.
What is the InChIKey of 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MRKXAGANNUEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-14(2)29-13-16(18-6-5-17(25)10-20(18)29)12-28-9-7-15(11-28)21-19-4-3-8-27-24(19)31-22(21)23(26)30/h3-6,8,10,13-15H,7,9,11-12H2,1-2H3,(H2,26,30).
What are the key properties of 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(6-fluoro-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).