N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C22H25N5O — CID 97136855

IUPACN-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1cn2cccnc2n1
InChIInChI=1S/C22H25N5O/c1-5-17(18-12-27-10-6-9-23-22(27)26-18)25-19(28)11-16-15(4)24-21-14(3)8-7-13(2)20(16)21/h6-10,12,17,24H,5,11H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyZXYDAEQGASXIIV-QGZVFWFLSA-N
MW375.48 g/mol
LogP3.95
Rot. Bonds5

About N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 97136855) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID97136855
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCC[C@@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1cn2cccnc2n1
InChIInChI=1S/C22H25N5O/c1-5-17(18-12-27-10-6-9-23-22(27)26-18)25-19(28)11-16-15(4)24-21-14(3)8-7-13(2)20(16)21/h6-10,12,17,24H,5,11H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyZXYDAEQGASXIIV-QGZVFWFLSA-N
XLogP3.95
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 97136855) is N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is CC[C@@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1cn2cccnc2n1.
What is the InChIKey of N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is ZXYDAEQGASXIIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O/c1-5-17(18-12-27-10-6-9-23-22(27)26-18)25-19(28)11-16-15(4)24-21-14(3)8-7-13(2)20(16)21/h6-10,12,17,24H,5,11H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 97136855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).