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

C24H29FN4O3S — CID 22269330

IUPAC3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3ccccc3F)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H29FN4O3S/c1-2-5-14-12-19(28-23-20(14)21(26)22(33-23)24(31)32)29-10-8-15(9-11-29)27-13-18(30)16-6-3-4-7-17(16)25/h3-4,6-7,12,15,18,27,30H,2,5,8-11,13,26H2,1H3,(H,31,32)
InChIKeyORJIARMABJRXQP-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.96
Rot. Bonds8

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

3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 22269330) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID22269330
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCCc1cc(N2CCC(NCC(O)c3ccccc3F)CC2)nc2sc(C(=O)O)c(N)c12
InChIInChI=1S/C24H29FN4O3S/c1-2-5-14-12-19(28-23-20(14)21(26)22(33-23)24(31)32)29-10-8-15(9-11-29)27-13-18(30)16-6-3-4-7-17(16)25/h3-4,6-7,12,15,18,27,30H,2,5,8-11,13,26H2,1H3,(H,31,32)
InChIKeyORJIARMABJRXQP-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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Related Compounds

1-amino-8,8-dimethyl-5-morpholino-N-phenyl-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3722012
3-Amino-6-(3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23400934
3-Amino-6-(4-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23401001
1-amino-8,8-dimethyl-5-morpholino-N-(p-tolyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 3263356
2-[2-(4-acetamidophenyl)ethyl]-4-[[(2S)-2-methoxy-2-phenylethyl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137634293
4-[2-(4-Fluorophenyl)ethylamino]-5-methyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137644128
4-[2-(3-Fluorophenyl)ethylamino]-5-methyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137647743
4-[2-(2-Fluorophenyl)ethylamino]-5-methyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 137661523
1-amino-8,8-dimethyl-N-(2-methylphenyl)-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1416167
Ethyl 1-amino-7-benzyl-5-(morpholin-4-yl)-6,7,8,9-tetrahydrothieno[2,3-c][2,7]naphthyridine-2-carboxylate
CID 1387000
1-amino-8,8-dimethyl-5-morpholino-N-(m-tolyl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridine-2-carboxamide
CID 1394741
3-amino-5-(1-hydroxyethyl)-6-methyl-N-pyridin-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 155817231

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[2-(2-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-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid (CID 22269330) is 3-amino-6-[4-[[2-(2-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-(2-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-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is CCCc1cc(N2CCC(NCC(O)c3ccccc3F)CC2)nc2sc(C(=O)O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ORJIARMABJRXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-2-5-14-12-19(28-23-20(14)21(26)22(33-23)24(31)32)29-10-8-15(9-11-29)27-13-18(30)16-6-3-4-7-17(16)25/h3-4,6-7,12,15,18,27,30H,2,5,8-11,13,26H2,1H3,(H,31,32).
What are the key properties of 3-amino-6-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-[4-[[2-(2-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-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 22269330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).