N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

C18H28N6O — CID 131649418

IUPACN,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCC1c2nc(CC(=O)N(C)C)cn2CCN1Cc1cnn(C(C)C)c1
InChIInChI=1S/C18H28N6O/c1-13(2)24-11-15(9-19-24)10-22-6-7-23-12-16(8-17(25)21(4)5)20-18(23)14(22)3/h9,11-14H,6-8,10H2,1-5H3
InChIKeyTWSYGKSWOLHQOE-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.87
Rot. Bonds5

About N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide

N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 131649418) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID131649418
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide
SMILESCC1c2nc(CC(=O)N(C)C)cn2CCN1Cc1cnn(C(C)C)c1
InChIInChI=1S/C18H28N6O/c1-13(2)24-11-15(9-19-24)10-22-6-7-23-12-16(8-17(25)21(4)5)20-18(23)14(22)3/h9,11-14H,6-8,10H2,1-5H3
InChIKeyTWSYGKSWOLHQOE-UHFFFAOYSA-N
XLogP1.87
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide (CID 131649418) is N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is CC1c2nc(CC(=O)N(C)C)cn2CCN1Cc1cnn(C(C)C)c1.
What is the InChIKey of N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is TWSYGKSWOLHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13(2)24-11-15(9-19-24)10-22-6-7-23-12-16(8-17(25)21(4)5)20-18(23)14(22)3/h9,11-14H,6-8,10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide?
N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-methyl-7-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 131649418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).