N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

C20H21N5O — CID 86285330

IUPACN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCC(NC(=O)Cc1c(C)[nH]c2ccccc12)c1cn2cccnc2n1
InChIInChI=1S/C20H21N5O/c1-3-16(18-12-25-10-6-9-21-20(25)24-18)23-19(26)11-15-13(2)22-17-8-5-4-7-14(15)17/h4-10,12,16,22H,3,11H2,1-2H3,(H,23,26)
InChIKeyXPIXQLSQKCNYHD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.33
Rot. Bonds5

About N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 86285330) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID86285330
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCCC(NC(=O)Cc1c(C)[nH]c2ccccc12)c1cn2cccnc2n1
InChIInChI=1S/C20H21N5O/c1-3-16(18-12-25-10-6-9-21-20(25)24-18)23-19(26)11-15-13(2)22-17-8-5-4-7-14(15)17/h4-10,12,16,22H,3,11H2,1-2H3,(H,23,26)
InChIKeyXPIXQLSQKCNYHD-UHFFFAOYSA-N
XLogP3.33
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97136855
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 97124356
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 90651094
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 126423550
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 86285049
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
2-(2-methyl-1H-indol-3-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31986763
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 99932489
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
(2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 119194327

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide (CID 86285330) is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is CCC(NC(=O)Cc1c(C)[nH]c2ccccc12)c1cn2cccnc2n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is XPIXQLSQKCNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-16(18-12-25-10-6-9-21-20(25)24-18)23-19(26)11-15-13(2)22-17-8-5-4-7-14(15)17/h4-10,12,16,22H,3,11H2,1-2H3,(H,23,26).
What are the key properties of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide?
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 86285330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).