3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

C24H29FN4O3S — CID 22269253

IUPAC3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3ccc(F)cc3)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H29FN4O3S/c1-2-3-15-12-19(28-23-20(15)21(26)22(33-23)24(31)32)29-10-8-17(9-11-29)27-13-18(30)14-4-6-16(25)7-5-14/h4-7,12,17-18,27,30H,2-3,8-11,13,26H2,1H3,(H,31,32)
InChIKeyTULJHSPDPWWYEU-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.96
Rot. Bonds8

About 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22269253) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22269253
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3ccc(F)cc3)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H29FN4O3S/c1-2-3-15-12-19(28-23-20(15)21(26)22(33-23)24(31)32)29-10-8-17(9-11-29)27-13-18(30)14-4-6-16(25)7-5-14/h4-7,12,17-18,27,30H,2-3,8-11,13,26H2,1H3,(H,31,32)
InChIKeyTULJHSPDPWWYEU-UHFFFAOYSA-N
XLogP3.96
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22269253) is 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is CCCc1cc(N2CCC(NCC(O)c3ccc(F)cc3)CC2)nc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is TULJHSPDPWWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-2-3-15-12-19(28-23-20(15)21(26)22(33-23)24(31)32)29-10-8-17(9-11-29)27-13-18(30)14-4-6-16(25)7-5-14/h4-7,12,17-18,27,30H,2-3,8-11,13,26H2,1H3,(H,31,32).
What are the key properties of 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 472.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22269253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).