N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C20H25N5O3S2 — CID 110130492

IUPACN-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3c(C(=O)NC)sc4ncccc34)C2)c(C)n1
InChIInChI=1S/C20H25N5O3S2/c1-4-9-24-12-16(13(2)23-24)30(27,28)25-10-7-14(11-25)17-15-6-5-8-22-20(15)29-18(17)19(26)21-3/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,21,26)
InChIKeyIXINDQJLGKIMJB-UHFFFAOYSA-N
MW447.59 g/mol
LogP2.75
Rot. Bonds6

About N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110130492) has the molecular formula C20H25N5O3S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110130492
Molecular FormulaC20H25N5O3S2
Molecular Weight447.59 g/mol
Exact Mass447.14
IUPAC NameN-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCC(c3c(C(=O)NC)sc4ncccc34)C2)c(C)n1
InChIInChI=1S/C20H25N5O3S2/c1-4-9-24-12-16(13(2)23-24)30(27,28)25-10-7-14(11-25)17-15-6-5-8-22-20(15)29-18(17)19(26)21-3/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,21,26)
InChIKeyIXINDQJLGKIMJB-UHFFFAOYSA-N
XLogP2.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110130492) is N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CCCn1cc(S(=O)(=O)N2CCC(c3c(C(=O)NC)sc4ncccc34)C2)c(C)n1.
What is the InChIKey of N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is IXINDQJLGKIMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S2/c1-4-9-24-12-16(13(2)23-24)30(27,28)25-10-7-14(11-25)17-15-6-5-8-22-20(15)29-18(17)19(26)21-3/h5-6,8,12,14H,4,7,9-11H2,1-3H3,(H,21,26).
What are the key properties of N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110130492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).