N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C20H18N6OS — CID 118714648

IUPACN-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2ccccc2cn1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H18N6OS/c27-20(23-17-11-14-3-1-2-4-15(14)12-22-17)13-6-9-26(10-7-13)16-5-8-21-19-18(16)24-28-25-19/h1-5,8,11-13H,6-7,9-10H2,(H,22,23,27)
InChIKeyYKCWWWZVMFVPSQ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.49
Rot. Bonds3

About N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 118714648) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID118714648
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cc2ccccc2cn1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H18N6OS/c27-20(23-17-11-14-3-1-2-4-15(14)12-22-17)13-6-9-26(10-7-13)16-5-8-21-19-18(16)24-28-25-19/h1-5,8,11-13H,6-7,9-10H2,(H,22,23,27)
InChIKeyYKCWWWZVMFVPSQ-UHFFFAOYSA-N
XLogP3.49
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 118714648) is N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is O=C(Nc1cc2ccccc2cn1)C1CCN(c2ccnc3nsnc23)CC1.
What is the InChIKey of N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is YKCWWWZVMFVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-20(23-17-11-14-3-1-2-4-15(14)12-22-17)13-6-9-26(10-7-13)16-5-8-21-19-18(16)24-28-25-19/h1-5,8,11-13H,6-7,9-10H2,(H,22,23,27).
What are the key properties of N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-yl-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118714648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).