6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide

C21H21N5O3S — CID 154143448

IUPAC6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(=O)NN2CCOCC2)c(C)s1
InChIInChI=1S/C21H21N5O3S/c1-10-9-13(11(2)30-10)19-17-18(23-24-19)12-3-4-14(22)16(15(12)20(17)27)21(28)25-26-5-7-29-8-6-26/h3-4,9H,5-8,22H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyPYNSNQOLIJJHNW-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.53
Rot. Bonds3

About 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide

6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide (PubChem CID 154143448) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
PubChem CID154143448
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Name6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(=O)NN2CCOCC2)c(C)s1
InChIInChI=1S/C21H21N5O3S/c1-10-9-13(11(2)30-10)19-17-18(23-24-19)12-3-4-14(22)16(15(12)20(17)27)21(28)25-26-5-7-29-8-6-26/h3-4,9H,5-8,22H2,1-2H3,(H,23,24)(H,25,28)
InChIKeyPYNSNQOLIJJHNW-UHFFFAOYSA-N
XLogP2.53
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-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 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The IUPAC name of 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide (CID 154143448) is 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The canonical SMILES for 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide is Cc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(=O)NN2CCOCC2)c(C)s1.
What is the InChIKey of 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The InChIKey is PYNSNQOLIJJHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-10-9-13(11(2)30-10)19-17-18(23-24-19)12-3-4-14(22)16(15(12)20(17)27)21(28)25-26-5-7-29-8-6-26/h3-4,9H,5-8,22H2,1-2H3,(H,23,24)(H,25,28).
What are the key properties of 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,5-dimethylthiophen-3-yl)-N-morpholin-4-yl-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide is sourced from PubChem (CID 154143448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).