2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide

C22H23N5O2S — CID 58440928

IUPAC2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc3n(n2)CCN3c2ccc3c(c2)CCN(C)C3=O)c(C)s1
InChIInChI=1S/C22H23N5O2S/c1-13-10-18(14(2)30-13)21(28)23-19-12-20-26(8-9-27(20)24-19)16-4-5-17-15(11-16)6-7-25(3)22(17)29/h4-5,10-12H,6-9H2,1-3H3,(H,23,24,28)
InChIKeyBGDPDLWELAZFJI-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.59
Rot. Bonds3

About 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide

2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide (PubChem CID 58440928) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide
PubChem CID58440928
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc3n(n2)CCN3c2ccc3c(c2)CCN(C)C3=O)c(C)s1
InChIInChI=1S/C22H23N5O2S/c1-13-10-18(14(2)30-13)21(28)23-19-12-20-26(8-9-27(20)24-19)16-4-5-17-15(11-16)6-7-25(3)22(17)29/h4-5,10-12H,6-9H2,1-3H3,(H,23,24,28)
InChIKeyBGDPDLWELAZFJI-UHFFFAOYSA-N
XLogP3.59
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-methylpiperazin-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 11751305
4-(4-methylpiperazin-1-yl)-N-[5-(2-thiophen-3-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 44400234
4-(4-methylpiperazin-4-ium-1-yl)-N-[5-(2-thiophen-2-ylacetyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 24916935
2-[2-methyl-3-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxopyridazin-3-yl]phenyl]-1H-[1]benzothiolo[2,3-c]pyrrol-3-one
CID 54596722
2-(1,1-Dimethylethyl)-5-[3-[5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1,6-dihydro-6-oxo-3-pyridazinyl]-2-methylphenyl]-4,5-dihydro-6H-thieno[2,3-c]pyrrol-6-one
CID 56924624
6-(3-{2-tert-Butyl-6-oxo-4H,5H,6H-thieno[2,3-c]pyrrol-5-yl}-2-methylphenyl)-4-({5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}amino)-2,3-dihydropyridazin-3-one
CID 56929057
2-tert-butyl-5-[5-[5-[(1,5-dimethylpyrazol-3-yl)amino]-6-oxo-1H-pyridazin-3-yl]-2-fluorophenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 56929235
2-tert-butyl-5-[5-fluoro-2-methyl-3-[1-methyl-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxopyridazin-3-yl]phenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 56929423
2-fluoro-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]benzamide
CID 58440724
2,6-difluoro-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]benzamide
CID 58440731
3-hydroxy-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[1,2-b]pyrazol-6-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
CID 58440922
2-(4-fluorophenyl)-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]acetamide
CID 58441007

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide (CID 58440928) is 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide is Cc1cc(C(=O)Nc2cc3n(n2)CCN3c2ccc3c(c2)CCN(C)C3=O)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide?
The InChIKey is BGDPDLWELAZFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-13-10-18(14(2)30-13)21(28)23-19-12-20-26(8-9-27(20)24-19)16-4-5-17-15(11-16)6-7-25(3)22(17)29/h4-5,10-12H,6-9H2,1-3H3,(H,23,24,28).
What are the key properties of 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide?
2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]thiophene-3-carboxamide is sourced from PubChem (CID 58440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).