2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

C24H26N6O3 — CID 171680978

IUPAC2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc2c(c1)CCN(C(=O)CNC(N)=O)C2
InChIInChI=1S/C24H26N6O3/c1-15-21(16-6-4-3-5-7-16)28-29(2)22(15)27-23(32)18-8-9-19-14-30(11-10-17(19)12-18)20(31)13-26-24(25)33/h3-9,12H,10-11,13-14H2,1-2H3,(H,27,32)(H3,25,26,33)
InChIKeyUCWPLFSJJMWTPN-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.20
Rot. Bonds5

About 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 171680978) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID171680978
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc2c(c1)CCN(C(=O)CNC(N)=O)C2
InChIInChI=1S/C24H26N6O3/c1-15-21(16-6-4-3-5-7-16)28-29(2)22(15)27-23(32)18-8-9-19-14-30(11-10-17(19)12-18)20(31)13-26-24(25)33/h3-9,12H,10-11,13-14H2,1-2H3,(H,27,32)(H3,25,26,33)
InChIKeyUCWPLFSJJMWTPN-UHFFFAOYSA-N
XLogP2.20
TPSA122.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-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

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
N-benzyl-2-(2-cyanoacetyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 135359138
3-amino-1-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)propan-1-one
CID 154570958
1-[4-[(1,4-dimethyl-3-phenylpyrazol-5-yl)amino]piperidin-1-yl]ethanone
CID 29124132
6-[(1-benzylimidazol-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 134518248
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]butanamide
CID 119769498
benzyl 6-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 133061367
N-[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1,4-dimethylpyrazol-5-yl]benzamide
CID 170413053
ethyl 4-[N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate
CID 111162860
N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1,3-dimethylpyrrolidine-3-carboxamide
CID 134699020
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110370914
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 171680978) is 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide is Cc1c(-c2ccccc2)nn(C)c1NC(=O)c1ccc2c(c1)CCN(C(=O)CNC(N)=O)C2.
What is the InChIKey of 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is UCWPLFSJJMWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-15-21(16-6-4-3-5-7-16)28-29(2)22(15)27-23(32)18-8-9-19-14-30(11-10-17(19)12-18)20(31)13-26-24(25)33/h3-9,12H,10-11,13-14H2,1-2H3,(H,27,32)(H3,25,26,33).
What are the key properties of 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 171680978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).