N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide

C26H24N4O3 — CID 2213981

IUPACN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C26H24N4O3/c1-17-9-10-21(14-18(17)2)30-24(28-25(31)23-8-5-13-33-23)22(15-27-30)26(32)29-12-11-19-6-3-4-7-20(19)16-29/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,31)
InChIKeyPMRTWNQDQNNTGP-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.53
Rot. Bonds4

About N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide (PubChem CID 2213981) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide
PubChem CID2213981
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2NC(=O)c2ccco2)cc1C
InChIInChI=1S/C26H24N4O3/c1-17-9-10-21(14-18(17)2)30-24(28-25(31)23-8-5-13-33-23)22(15-27-30)26(32)29-12-11-19-6-3-4-7-20(19)16-29/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,31)
InChIKeyPMRTWNQDQNNTGP-UHFFFAOYSA-N
XLogP4.53
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-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-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide (CID 2213981) is N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide is Cc1ccc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2NC(=O)c2ccco2)cc1C.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide?
The InChIKey is PMRTWNQDQNNTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-9-10-21(14-18(17)2)30-24(28-25(31)23-8-5-13-33-23)22(15-27-30)26(32)29-12-11-19-6-3-4-7-20(19)16-29/h3-10,13-15H,11-12,16H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide?
N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(3,4-dimethylphenyl)pyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2213981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).