4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide

C24H31N5O3 — CID 175656355

IUPAC4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOC(C(=O)Nc2ccc3c(c2)c(C)c(C)n3C)C1
InChIInChI=1S/C24H31N5O3/c1-14-17(4)28(5)21-8-6-18(12-20(14)21)25-24(31)22-13-29(10-11-32-22)23(30)9-7-19-15(2)26-27-16(19)3/h6,8,12,22H,7,9-11,13H2,1-5H3,(H,25,31)(H,26,27)
InChIKeyFWBJAEQVUHKGPU-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.93
Rot. Bonds5

About 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide

4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide (PubChem CID 175656355) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide
PubChem CID175656355
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOC(C(=O)Nc2ccc3c(c2)c(C)c(C)n3C)C1
InChIInChI=1S/C24H31N5O3/c1-14-17(4)28(5)21-8-6-18(12-20(14)21)25-24(31)22-13-29(10-11-32-22)23(30)9-7-19-15(2)26-27-16(19)3/h6,8,12,22H,7,9-11,13H2,1-5H3,(H,25,31)(H,26,27)
InChIKeyFWBJAEQVUHKGPU-UHFFFAOYSA-N
XLogP2.93
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 42462011
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
N-[2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
CID 72897351
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
CID 84613412
(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
CID 92633187
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 125025151

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide (CID 175656355) is 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide is Cc1n[nH]c(C)c1CCC(=O)N1CCOC(C(=O)Nc2ccc3c(c2)c(C)c(C)n3C)C1.
What is the InChIKey of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide?
The InChIKey is FWBJAEQVUHKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-14-17(4)28(5)21-8-6-18(12-20(14)21)25-24(31)22-13-29(10-11-32-22)23(30)9-7-19-15(2)26-27-16(19)3/h6,8,12,22H,7,9-11,13H2,1-5H3,(H,25,31)(H,26,27).
What are the key properties of 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide?
4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-N-(1,2,3-trimethylindol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 175656355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).