N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide

C25H32N6O2S — CID 129161390

IUPACN,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2cnc(Nc3ccc(N4CCNCC4)cn3)cc2c1C1CCOC1
InChIInChI=1S/C25H32N6O2S/c1-3-30(4-2)25(32)24-23(17-7-12-33-16-17)19-13-22(28-15-20(19)34-24)29-21-6-5-18(14-27-21)31-10-8-26-9-11-31/h5-6,13-15,17,26H,3-4,7-12,16H2,1-2H3,(H,27,28,29)
InChIKeyASZASMWFGDRBKJ-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.83
Rot. Bonds7

About N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide

N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 129161390) has the molecular formula C25H32N6O2S and a molecular weight of 480.64 g/mol. Its IUPAC name is N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID129161390
Molecular FormulaC25H32N6O2S
Molecular Weight480.64 g/mol
Exact Mass480.23
IUPAC NameN,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1sc2cnc(Nc3ccc(N4CCNCC4)cn3)cc2c1C1CCOC1
InChIInChI=1S/C25H32N6O2S/c1-3-30(4-2)25(32)24-23(17-7-12-33-16-17)19-13-22(28-15-20(19)34-24)29-21-6-5-18(14-27-21)31-10-8-26-9-11-31/h5-6,13-15,17,26H,3-4,7-12,16H2,1-2H3,(H,27,28,29)
InChIKeyASZASMWFGDRBKJ-UHFFFAOYSA-N
XLogP3.83
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide (CID 129161390) is N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide is CCN(CC)C(=O)c1sc2cnc(Nc3ccc(N4CCNCC4)cn3)cc2c1C1CCOC1.
What is the InChIKey of N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is ASZASMWFGDRBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2S/c1-3-30(4-2)25(32)24-23(17-7-12-33-16-17)19-13-22(28-15-20(19)34-24)29-21-6-5-18(14-27-21)31-10-8-26-9-11-31/h5-6,13-15,17,26H,3-4,7-12,16H2,1-2H3,(H,27,28,29).
What are the key properties of N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide?
N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 480.64 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(oxolan-3-yl)-5-[(5-piperazin-1-yl-2-pyridinyl)amino]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 129161390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).