N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide

C18H19N3O3S2 — CID 70916909

IUPACN-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1-c1cnn2ccccc12
InChIInChI=1S/C18H19N3O3S2/c1-12-14(15-10-19-21-7-3-2-6-16(15)21)9-17(25-12)18(22)20-13-5-4-8-26(23,24)11-13/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyBQEZCEDLRORNNZ-CYBMUJFWSA-N
MW389.50 g/mol
LogP2.68
Rot. Bonds3

About N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide

N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide (PubChem CID 70916909) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
PubChem CID70916909
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1-c1cnn2ccccc12
InChIInChI=1S/C18H19N3O3S2/c1-12-14(15-10-19-21-7-3-2-6-16(15)21)9-17(25-12)18(22)20-13-5-4-8-26(23,24)11-13/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,20,22)/t13-/m1/s1
InChIKeyBQEZCEDLRORNNZ-CYBMUJFWSA-N
XLogP2.68
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R,4S)-4-amino-1,1-dioxothian-3-yl]-1-(5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophen-2-yl)ethanone
CID 58385942
(3S)-1,1-dioxo-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)thian-3-amine
CID 164633540
N-[(1R,6R)-6-amino-2,2-difluorocyclohexyl]-5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide
CID 58386003
N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-5-phenylthiophene-2-carboxamide
CID 125418912
N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768802
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzamide
CID 65309683
N-(1,1-dioxothian-3-yl)-2-hydroxy-4-methylbenzamide
CID 63921974
N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide (CID 70916909) is N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide is Cc1sc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1-c1cnn2ccccc12.
What is the InChIKey of N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
The InChIKey is BQEZCEDLRORNNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12-14(15-10-19-21-7-3-2-6-16(15)21)9-17(25-12)18(22)20-13-5-4-8-26(23,24)11-13/h2-3,6-7,9-10,13H,4-5,8,11H2,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide?
N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothian-3-yl]-5-methyl-4-pyrazolo[1,5-a]pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 70916909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).