4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid

C56H61N9O7S4 — CID 161374967

IUPAC4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
SMILESC.COc1ccc(CNc2ncc(C#N)c3sc(C4=CCCC4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(C4CCCC4)cc23)cc1.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12.O=S(=O)(O)O
InChIInChI=1S/C21H21N3OS.C21H19N3OS.C13H15N3OS.CH4.H2O4S/c2*1-25-17-8-6-14(7-9-17)12-23-21-18-10-19(15-4-2-3-5-15)26-20(18)16(11-22)13-24-21;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;;1-5(2,3)4/h6-10,13,15H,2-5,12H2,1H3,(H,23,24);4,6-10,13H,2-3,5,12H2,1H3,(H,23,24);5-7H,1-4H2,(H2,14,16)(H2,15,17);1H4;(H2,1,2,3,4)
InChIKeyBMULCHVVMXMAEB-UHFFFAOYSA-N
MW1100.43 g/mol
LogP13.42
Rot. Bonds12

About 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid

4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid (PubChem CID 161374967) has the molecular formula C56H61N9O7S4 and a molecular weight of 1100.43 g/mol. Its IUPAC name is 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid.

Molecular Properties

Compound Name4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
PubChem CID161374967
Molecular FormulaC56H61N9O7S4
Molecular Weight1100.43 g/mol
Exact Mass1099.36
IUPAC Name4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid
SMILESC.COc1ccc(CNc2ncc(C#N)c3sc(C4=CCCC4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(C4CCCC4)cc23)cc1.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12.O=S(=O)(O)O
InChIInChI=1S/C21H21N3OS.C21H19N3OS.C13H15N3OS.CH4.H2O4S/c2*1-25-17-8-6-14(7-9-17)12-23-21-18-10-19(15-4-2-3-5-15)26-20(18)16(11-22)13-24-21;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;;1-5(2,3)4/h6-10,13,15H,2-5,12H2,1H3,(H,23,24);4,6-10,13H,2-3,5,12H2,1H3,(H,23,24);5-7H,1-4H2,(H2,14,16)(H2,15,17);1H4;(H2,1,2,3,4)
InChIKeyBMULCHVVMXMAEB-UHFFFAOYSA-N
XLogP13.42
TPSA272.48 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms76
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001100.43
LogP ≤ 513.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The IUPAC name of 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid (CID 161374967) is 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid.
What is the SMILES notation for 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The canonical SMILES for 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid is C.COc1ccc(CNc2ncc(C#N)c3sc(C4=CCCC4)cc23)cc1.COc1ccc(CNc2ncc(C#N)c3sc(C4CCCC4)cc23)cc1.NC(=O)c1cnc(N)c2cc(C3CCCC3)sc12.O=S(=O)(O)O.
What is the InChIKey of 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
The InChIKey is BMULCHVVMXMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS.C21H19N3OS.C13H15N3OS.CH4.H2O4S/c2*1-25-17-8-6-14(7-9-17)12-23-21-18-10-19(15-4-2-3-5-15)26-20(18)16(11-22)13-24-21;14-12-8-5-10(7-3-1-2-4-7)18-11(8)9(6-16-12)13(15)17;;1-5(2,3)4/h6-10,13,15H,2-5,12H2,1H3,(H,23,24);4,6-10,13H,2-3,5,12H2,1H3,(H,23,24);5-7H,1-4H2,(H2,14,16)(H2,15,17);1H4;(H2,1,2,3,4).
What are the key properties of 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid?
4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid has a molecular weight of 1100.43 g/mol, XLogP of 13.42, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentylthieno[3,2-c]pyridine-7-carboxamide;2-(cyclopenten-1-yl)-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;2-cyclopentyl-4-[(4-methoxyphenyl)methylamino]thieno[3,2-c]pyridine-7-carbonitrile;methane;sulfuric acid is sourced from PubChem (CID 161374967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).