N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

C19H23N5O2S — CID 10178159

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCNCC3=O)cc2cn1
InChIInChI=1S/C19H23N5O2S/c25-17-10-20-3-6-24(17)18-7-13-9-21-14(8-16(13)27-18)19(26)22-15-11-23-4-1-12(15)2-5-23/h7-9,12,15,20H,1-6,10-11H2,(H,22,26)/t15-/m0/s1
InChIKeyIKFJZVGVJBNSAU-HNNXBMFYSA-N
MW385.49 g/mol
LogP1.06
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 10178159) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID10178159
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCNCC3=O)cc2cn1
InChIInChI=1S/C19H23N5O2S/c25-17-10-20-3-6-24(17)18-7-13-9-21-14(8-16(13)27-18)19(26)22-15-11-23-4-1-12(15)2-5-23/h7-9,12,15,20H,1-6,10-11H2,(H,22,26)/t15-/m0/s1
InChIKeyIKFJZVGVJBNSAU-HNNXBMFYSA-N
XLogP1.06
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopyrrolidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10292587
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 10178168
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperazin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047204
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(2-oxopiperidin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047289
methyl 3-[6-(1-azabicyclo[2.2.1]heptan-3-ylcarbamoyl)thieno[3,2-c]pyridin-2-yl]prop-2-ynoate
CID 22389273
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-(3-oxothiomorpholin-4-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 22047625
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethynylisoquinoline-3-carboxamide
CID 22243597
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.1]heptan-3-yl)-6-cyanoisoquinoline-3-carboxamide
CID 22243610
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
CID 91171392

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (CID 10178159) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is O=C(N[C@H]1CN2CCC1CC2)c1cc2sc(N3CCNCC3=O)cc2cn1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is IKFJZVGVJBNSAU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-17-10-20-3-6-24(17)18-7-13-9-21-14(8-16(13)27-18)19(26)22-15-11-23-4-1-12(15)2-5-23/h7-9,12,15,20H,1-6,10-11H2,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(2-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 10178159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).