3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

C24H29F2N5O2S — CID 23586226

IUPAC3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)c3ccc(F)c(F)c3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C24H29F2N5O2S/c1-2-3-14-11-19(30-24-20(14)21(27)22(34-24)23(28)33)31-8-6-15(7-9-31)29-12-18(32)13-4-5-16(25)17(26)10-13/h4-5,10-11,15,18,29,32H,2-3,6-9,12,27H2,1H3,(H2,28,33)
InChIKeyTXSOMMPGJSWNDK-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.50
Rot. Bonds8

About 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23586226) has the molecular formula C24H29F2N5O2S and a molecular weight of 489.59 g/mol. Its IUPAC name is 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23586226
Molecular FormulaC24H29F2N5O2S
Molecular Weight489.59 g/mol
Exact Mass489.20
IUPAC Name3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCC(NCC(O)c3ccc(F)c(F)c3)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C24H29F2N5O2S/c1-2-3-14-11-19(30-24-20(14)21(27)22(34-24)23(28)33)31-8-6-15(7-9-31)29-12-18(32)13-4-5-16(25)17(26)10-13/h4-5,10-11,15,18,29,32H,2-3,6-9,12,27H2,1H3,(H2,28,33)
InChIKeyTXSOMMPGJSWNDK-UHFFFAOYSA-N
XLogP3.50
TPSA117.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.50
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-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23586226) is 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCC(NCC(O)c3ccc(F)c(F)c3)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TXSOMMPGJSWNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N5O2S/c1-2-3-14-11-19(30-24-20(14)21(27)22(34-24)23(28)33)31-8-6-15(7-9-31)29-12-18(32)13-4-5-16(25)17(26)10-13/h4-5,10-11,15,18,29,32H,2-3,6-9,12,27H2,1H3,(H2,28,33).
What are the key properties of 3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 3.50, 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-(3,4-difluorophenyl)-2-hydroxyethyl]amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23586226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).