N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide

C17H24N4O4 — CID 142750606

IUPACN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
SMILESCc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyFOXSQPLXFRQOGO-AWEZNQCLSA-N
MW348.40 g/mol
LogP0.57
Rot. Bonds6

About N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide

N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide (PubChem CID 142750606) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
PubChem CID142750606
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide
SMILESCc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyFOXSQPLXFRQOGO-AWEZNQCLSA-N
XLogP0.57
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-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

1-[1-(2-Hydroxy-3-methoxypropyl)piperidin-4-yl]-3-[2-(1-methylindazol-3-yl)ethyl]urea
CID 126771300
1-[2-(1-Methylindazol-3-yl)ethyl]-3-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]urea
CID 126772076
(3R)-3-methyl-N-[2-(1-methylindazol-3-yl)ethyl]morpholine-4-carboxamide
CID 132385422
N-[2-(1-methylindazol-3-yl)ethyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 139007673

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide (CID 142750606) is N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide is Cc1nn(OC[C@@H](O)CCNC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
The InChIKey is FOXSQPLXFRQOGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-13-15-4-2-3-5-16(15)21(19-13)25-12-14(22)6-7-18-17(23)20-8-10-24-11-9-20/h2-5,14,22H,6-12H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide?
N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-4-(3-methylindazol-1-yl)oxybutyl]morpholine-4-carboxamide is sourced from PubChem (CID 142750606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).