N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide

C25H37N5O3 — CID 22552214

IUPACN-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
SMILESCCCCN(C)CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2
InChIInChI=1S/C25H37N5O3/c1-4-5-12-28(3)13-8-11-26-21(31)17-30-16-19-9-10-20-22(23(19)27-30)18(2)24(33-20)25(32)29-14-6-7-15-29/h16H,4-15,17H2,1-3H3,(H,26,31)
InChIKeyRALMJYSZNAFBJT-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.02
Rot. Bonds10

About N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide

N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide (PubChem CID 22552214) has the molecular formula C25H37N5O3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
PubChem CID22552214
Molecular FormulaC25H37N5O3
Molecular Weight455.60 g/mol
Exact Mass455.29
IUPAC NameN-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide
SMILESCCCCN(C)CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2
InChIInChI=1S/C25H37N5O3/c1-4-5-12-28(3)13-8-11-26-21(31)17-30-16-19-9-10-20-22(23(19)27-30)18(2)24(33-20)25(32)29-14-6-7-15-29/h16H,4-15,17H2,1-3H3,(H,26,31)
InChIKeyRALMJYSZNAFBJT-UHFFFAOYSA-N
XLogP3.02
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide 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-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The IUPAC name of N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide (CID 22552214) is N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide.
What is the SMILES notation for N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The canonical SMILES for N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide is CCCCN(C)CCCNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2.
What is the InChIKey of N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
The InChIKey is RALMJYSZNAFBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3/c1-4-5-12-28(3)13-8-11-26-21(31)17-30-16-19-9-10-20-22(23(19)27-30)18(2)24(33-20)25(32)29-14-6-7-15-29/h16H,4-15,17H2,1-3H3,(H,26,31).
What are the key properties of N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide?
N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide has a molecular weight of 455.60 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(methyl)amino]propyl]-2-[8-methyl-7-(pyrrolidine-1-carbonyl)-4,5-dihydrofuro[2,3-g]indazol-2-yl]acetamide is sourced from PubChem (CID 22552214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).