N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H20N6OS — CID 142415477

IUPACN-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3cncc4nccn34)C2)s1
InChIInChI=1S/C17H20N6OS/c1-12(24)21-17-20-8-15(25-17)11-22-4-2-13(10-22)6-14-7-18-9-16-19-3-5-23(14)16/h3,5,7-9,13H,2,4,6,10-11H2,1H3,(H,20,21,24)/t13-/m1/s1
InChIKeyUVSDCCRHARONMH-CYBMUJFWSA-N
MW356.46 g/mol
LogP2.21
Rot. Bonds5

About N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415477) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415477
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC NameN-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CC[C@H](Cc3cncc4nccn34)C2)s1
InChIInChI=1S/C17H20N6OS/c1-12(24)21-17-20-8-15(25-17)11-22-4-2-13(10-22)6-14-7-18-9-16-19-3-5-23(14)16/h3,5,7-9,13H,2,4,6,10-11H2,1H3,(H,20,21,24)/t13-/m1/s1
InChIKeyUVSDCCRHARONMH-CYBMUJFWSA-N
XLogP2.21
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415477) is N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CC[C@H](Cc3cncc4nccn34)C2)s1.
What is the InChIKey of N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UVSDCCRHARONMH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12(24)21-17-20-8-15(25-17)11-22-4-2-13(10-22)6-14-7-18-9-16-19-3-5-23(14)16/h3,5,7-9,13H,2,4,6,10-11H2,1H3,(H,20,21,24)/t13-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 356.46 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-(imidazo[1,2-a]pyrazin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).