4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide

C34H63F2N7O3 — CID 123794406

IUPAC4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide
SMILESCCCC(C)(CC)C1CCC(F)CN(CC)C(C)C(C(=O)NC2CNCC(F)C2N2CCC(C(=O)N3CC(OC)C3)CC2)C(N)N1
InChIInChI=1S/C34H63F2N7O3/c1-7-14-34(5,8-2)28-11-10-24(35)19-41(9-3)22(4)29(31(37)40-28)32(44)39-27-18-38-17-26(36)30(27)42-15-12-23(13-16-42)33(45)43-20-25(21-43)46-6/h22-31,38,40H,7-21,37H2,1-6H3,(H,39,44)
InChIKeyHOAXAMAYPMRLBG-UHFFFAOYSA-N
MW655.92 g/mol
LogP2.27
Rot. Bonds10

About 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide

4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide (PubChem CID 123794406) has the molecular formula C34H63F2N7O3 and a molecular weight of 655.92 g/mol. Its IUPAC name is 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide
PubChem CID123794406
Molecular FormulaC34H63F2N7O3
Molecular Weight655.92 g/mol
Exact Mass655.50
IUPAC Name4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide
SMILESCCCC(C)(CC)C1CCC(F)CN(CC)C(C)C(C(=O)NC2CNCC(F)C2N2CCC(C(=O)N3CC(OC)C3)CC2)C(N)N1
InChIInChI=1S/C34H63F2N7O3/c1-7-14-34(5,8-2)28-11-10-24(35)19-41(9-3)22(4)29(31(37)40-28)32(44)39-27-18-38-17-26(36)30(27)42-15-12-23(13-16-42)33(45)43-20-25(21-43)46-6/h22-31,38,40H,7-21,37H2,1-6H3,(H,39,44)
InChIKeyHOAXAMAYPMRLBG-UHFFFAOYSA-N
XLogP2.27
TPSA115.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.92
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-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

2-amino-5-(6,6-dimethylheptan-2-yl)-7-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-1,4-dimethyl-1,5-diazonane-3-carboxamide
CID 123420289
4-amino-9-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(1-methylcyclohexyl)-1,5-diazecane-3-carboxamide
CID 123516058
4-amino-9-fluoro-N-[5-fluoro-4-[4-(3-hydroxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(1-methylcyclohexyl)-1,5-diazecane-3-carboxamide
CID 134321956

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide (CID 123794406) is 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide is CCCC(C)(CC)C1CCC(F)CN(CC)C(C)C(C(=O)NC2CNCC(F)C2N2CCC(C(=O)N3CC(OC)C3)CC2)C(N)N1.
What is the InChIKey of 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide?
The InChIKey is HOAXAMAYPMRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H63F2N7O3/c1-7-14-34(5,8-2)28-11-10-24(35)19-41(9-3)22(4)29(31(37)40-28)32(44)39-27-18-38-17-26(36)30(27)42-15-12-23(13-16-42)33(45)43-20-25(21-43)46-6/h22-31,38,40H,7-21,37H2,1-6H3,(H,39,44).
What are the key properties of 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide?
4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide has a molecular weight of 655.92 g/mol, XLogP of 2.27, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-9-fluoro-N-[5-fluoro-4-[4-(3-methoxyazetidine-1-carbonyl)piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(3-methylhexan-3-yl)-1,5-diazecane-3-carboxamide is sourced from PubChem (CID 123794406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).