N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

C20H19N5O3S2 — CID 118193536

IUPACN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1
InChIInChI=1S/C20H19N5O3S2/c1-2-7-25-13-17(11-24-25)30(27,28)16-4-3-15(22-10-16)9-23-20(26)18-8-14-5-6-21-12-19(14)29-18/h3-6,8,10-13H,2,7,9H2,1H3,(H,23,26)
InChIKeyFYIPERXOWGWKMC-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.06
Rot. Bonds7

About N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide

N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 118193536) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID118193536
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC NameN-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1
InChIInChI=1S/C20H19N5O3S2/c1-2-7-25-13-17(11-24-25)30(27,28)16-4-3-15(22-10-16)9-23-20(26)18-8-14-5-6-21-12-19(14)29-18/h3-6,8,10-13H,2,7,9H2,1H3,(H,23,26)
InChIKeyFYIPERXOWGWKMC-UHFFFAOYSA-N
XLogP3.06
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-fluorophenyl)-N-[(5-methylsulfonyl-3-pyridinyl)methyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278235
5-amino-3,4-dimethyl-N-[1-(pyridine-4-carbonyl)azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 89777147
N-((5-((1-isopropyl-1H-pyrazol-4-yl)sulfonyl)pyridin-2-yl)methyl)thieno[2,3-c]pyridine-2-carboxamide
CID 89793535
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118160922
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 165415027
1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 2099780
5-(1-(2-(4-(pyridin-2-yl)benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418116
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 145969983
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 155553782
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-pyridin-3-ylphenyl)thiophene-2-carboxamide
CID 164617763
N-[6-[(4-acetylpiperazin-1-yl)methyl]-3-pyridinyl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 57698146
1-cyclohexyl-3-methyl-N-[6-(methylcarbamoyl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 57698212

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide (CID 118193536) is N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1.
What is the InChIKey of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is FYIPERXOWGWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c1-2-7-25-13-17(11-24-25)30(27,28)16-4-3-15(22-10-16)9-23-20(26)18-8-14-5-6-21-12-19(14)29-18/h3-6,8,10-13H,2,7,9H2,1H3,(H,23,26).
What are the key properties of N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 118193536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).