N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine

C22H31N5O — CID 119128944

IUPACN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine
SMILESCCc1cccc2c(CCNCc3c(C)nn(C)c3N3CCOCC3)c[nH]c12
InChIInChI=1S/C22H31N5O/c1-4-17-6-5-7-19-18(14-24-21(17)19)8-9-23-15-20-16(2)25-26(3)22(20)27-10-12-28-13-11-27/h5-7,14,23-24H,4,8-13,15H2,1-3H3
InChIKeyGVEJWSOSVXNLPQ-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.94
Rot. Bonds7

About N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine

N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine (PubChem CID 119128944) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine
PubChem CID119128944
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine
SMILESCCc1cccc2c(CCNCc3c(C)nn(C)c3N3CCOCC3)c[nH]c12
InChIInChI=1S/C22H31N5O/c1-4-17-6-5-7-19-18(14-24-21(17)19)8-9-23-15-20-16(2)25-26(3)22(20)27-10-12-28-13-11-27/h5-7,14,23-24H,4,8-13,15H2,1-3H3
InChIKeyGVEJWSOSVXNLPQ-UHFFFAOYSA-N
XLogP2.94
TPSA58.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine (CID 119128944) is N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine is CCc1cccc2c(CCNCc3c(C)nn(C)c3N3CCOCC3)c[nH]c12.
What is the InChIKey of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine?
The InChIKey is GVEJWSOSVXNLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-4-17-6-5-7-19-18(14-24-21(17)19)8-9-23-15-20-16(2)25-26(3)22(20)27-10-12-28-13-11-27/h5-7,14,23-24H,4,8-13,15H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine?
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine has a molecular weight of 381.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-(7-ethyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 119128944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).