2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

C22H27ClN6O3 — CID 18470845

IUPAC2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NCN4CCOCC4)c3=O)cc12
InChIInChI=1S/C22H27ClN6O3/c1-14-10-24-18-4-3-16(9-17(14)18)11-25-19(30)12-29-15(2)20(23)27-21(22(29)31)26-13-28-5-7-32-8-6-28/h3-4,9-10,24H,5-8,11-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyNCKUWKJKDUTDDK-UHFFFAOYSA-N
MW458.95 g/mol
LogP2.01
Rot. Bonds7

About 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide

2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (PubChem CID 18470845) has the molecular formula C22H27ClN6O3 and a molecular weight of 458.95 g/mol. Its IUPAC name is 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
PubChem CID18470845
Molecular FormulaC22H27ClN6O3
Molecular Weight458.95 g/mol
Exact Mass458.18
IUPAC Name2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
SMILESCc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NCN4CCOCC4)c3=O)cc12
InChIInChI=1S/C22H27ClN6O3/c1-14-10-24-18-4-3-16(9-17(14)18)11-25-19(30)12-29-15(2)20(23)27-21(22(29)31)26-13-28-5-7-32-8-6-28/h3-4,9-10,24H,5-8,11-13H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyNCKUWKJKDUTDDK-UHFFFAOYSA-N
XLogP2.01
TPSA104.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The IUPAC name of 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide (CID 18470845) is 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)c(Cl)nc(NCN4CCOCC4)c3=O)cc12.
What is the InChIKey of 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
The InChIKey is NCKUWKJKDUTDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O3/c1-14-10-24-18-4-3-16(9-17(14)18)11-25-19(30)12-29-15(2)20(23)27-21(22(29)31)26-13-28-5-7-32-8-6-28/h3-4,9-10,24H,5-8,11-13H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide?
2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide has a molecular weight of 458.95 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-methyl-5-(morpholin-4-ylmethylamino)-6-oxopyrazin-1-yl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide is sourced from PubChem (CID 18470845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).