5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

C23H28N4O2 — CID 53194011

IUPAC5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2c(C)oc3c2CN(Cc2ccccc2)CC3)n1
InChIInChI=1S/C23H28N4O2/c1-16-9-12-27(25-16)13-17(2)24-23(28)22-18(3)29-21-10-11-26(15-20(21)22)14-19-7-5-4-6-8-19/h4-9,12,17H,10-11,13-15H2,1-3H3,(H,24,28)
InChIKeyXRHFEAFSDKCQMJ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.47
Rot. Bonds6

About 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide

5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 53194011) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID53194011
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
SMILESCc1ccn(CC(C)NC(=O)c2c(C)oc3c2CN(Cc2ccccc2)CC3)n1
InChIInChI=1S/C23H28N4O2/c1-16-9-12-27(25-16)13-17(2)24-23(28)22-18(3)29-21-10-11-26(15-20(21)22)14-19-7-5-4-6-8-19/h4-9,12,17H,10-11,13-15H2,1-3H3,(H,24,28)
InChIKeyXRHFEAFSDKCQMJ-UHFFFAOYSA-N
XLogP3.47
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide (CID 53194011) is 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is Cc1ccn(CC(C)NC(=O)c2c(C)oc3c2CN(Cc2ccccc2)CC3)n1.
What is the InChIKey of 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is XRHFEAFSDKCQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-9-12-27(25-16)13-17(2)24-23(28)22-18(3)29-21-10-11-26(15-20(21)22)14-19-7-5-4-6-8-19/h4-9,12,17H,10-11,13-15H2,1-3H3,(H,24,28).
What are the key properties of 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide?
5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 53194011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).