N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

C18H21N5O2S — CID 91171392

IUPACN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C1CN(c2cc3cnc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4N5)cc3s2)CCN1
InChIInChI=1S/C18H21N5O2S/c24-16-9-23(4-3-19-16)17-5-10-8-20-14(7-15(10)26-17)18(25)22-13-6-11-1-2-12(13)21-11/h5,7-8,11-13,21H,1-4,6,9H2,(H,19,24)(H,22,25)/t11-,12+,13-/m1/s1
InChIKeyVMTHSODUJDMXQN-FRRDWIJNSA-N
MW371.47 g/mol
LogP0.86
Rot. Bonds3

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 91171392) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID91171392
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C1CN(c2cc3cnc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4N5)cc3s2)CCN1
InChIInChI=1S/C18H21N5O2S/c24-16-9-23(4-3-19-16)17-5-10-8-20-14(7-15(10)26-17)18(25)22-13-6-11-1-2-12(13)21-11/h5,7-8,11-13,21H,1-4,6,9H2,(H,19,24)(H,22,25)/t11-,12+,13-/m1/s1
InChIKeyVMTHSODUJDMXQN-FRRDWIJNSA-N
XLogP0.86
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide with MolForge

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Related Compounds

methyl 6-[[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]carbamoyl]thieno[3,2-c]pyridine-2-carboxylate
CID 91092747
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-prop-1-ynylthieno[3,2-c]pyridine-6-carboxamide
CID 91427620
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-formylthieno[2,3-c]pyridine-5-carboxamide
CID 90995852
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-piperidin-1-ylfuro[3,2-c]pyridine-6-carboxamide
CID 91125806
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-methylsulfonylthieno[2,3-c]pyridine-5-carboxamide
CID 91081323
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-2-piperazin-1-ylthieno[3,2-c]pyridine-6-carboxamide
CID 22047204
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
CID 91577329
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethynylfuro[3,2-c]pyridine-6-carboxamide
CID 90717860
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-ethenylfuro[3,2-c]pyridine-6-carboxamide
CID 91251309
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-fluoropyridine-2-carboxamide
CID 23598718
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-6-(trifluoromethyl)isoquinoline-3-carboxamide
CID 10404695

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 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) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is O=C1CN(c2cc3cnc(C(=O)N[C@@H]4C[C@H]5CC[C@@H]4N5)cc3s2)CCN1.
What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is VMTHSODUJDMXQN-FRRDWIJNSA-N. The full InChI is InChI=1S/C18H21N5O2S/c24-16-9-23(4-3-19-16)17-5-10-8-20-14(7-15(10)26-17)18(25)22-13-6-11-1-2-12(13)21-11/h5,7-8,11-13,21H,1-4,6,9H2,(H,19,24)(H,22,25)/t11-,12+,13-/m1/s1.
What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide?
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(3-oxopiperazin-1-yl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 91171392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).