2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide

C18H23N5O2 — CID 46984272

IUPAC2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide
SMILESCOCc1cc(CNCc2c(C)n(CC(N)=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-12-16(9-20-8-13-7-14(11-25-2)22-21-13)15-5-3-4-6-17(15)23(12)10-18(19)24/h3-7,20H,8-11H2,1-2H3,(H2,19,24)(H,21,22)
InChIKeyRMSPKGNQXQPDBN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.59
Rot. Bonds8

About 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide

2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide (PubChem CID 46984272) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide
PubChem CID46984272
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide
SMILESCOCc1cc(CNCc2c(C)n(CC(N)=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H23N5O2/c1-12-16(9-20-8-13-7-14(11-25-2)22-21-13)15-5-3-4-6-17(15)23(12)10-18(19)24/h3-7,20H,8-11H2,1-2H3,(H2,19,24)(H,21,22)
InChIKeyRMSPKGNQXQPDBN-UHFFFAOYSA-N
XLogP1.59
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide (CID 46984272) is 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide is COCc1cc(CNCc2c(C)n(CC(N)=O)c3ccccc23)n[nH]1.
What is the InChIKey of 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide?
The InChIKey is RMSPKGNQXQPDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-16(9-20-8-13-7-14(11-25-2)22-21-13)15-5-3-4-6-17(15)23(12)10-18(19)24/h3-7,20H,8-11H2,1-2H3,(H2,19,24)(H,21,22).
What are the key properties of 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide?
2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide has a molecular weight of 341.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[5-(methoxymethyl)-1H-pyrazol-3-yl]methylamino]methyl]-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 46984272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).