1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide

C20H21N7O — CID 172630970

IUPAC1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCNc1nccn2c(-c3cc(C(=O)NC(C)c4ccccc4)n(C)n3)cnc12
InChIInChI=1S/C20H21N7O/c1-13(14-7-5-4-6-8-14)24-20(28)16-11-15(25-26(16)3)17-12-23-19-18(21-2)22-9-10-27(17)19/h4-13H,1-3H3,(H,21,22)(H,24,28)
InChIKeyCQSSSDKVLWMLKL-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.66
Rot. Bonds5

About 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide

1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide (PubChem CID 172630970) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide
PubChem CID172630970
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide
SMILESCNc1nccn2c(-c3cc(C(=O)NC(C)c4ccccc4)n(C)n3)cnc12
InChIInChI=1S/C20H21N7O/c1-13(14-7-5-4-6-8-14)24-20(28)16-11-15(25-26(16)3)17-12-23-19-18(21-2)22-9-10-27(17)19/h4-13H,1-3H3,(H,21,22)(H,24,28)
InChIKeyCQSSSDKVLWMLKL-UHFFFAOYSA-N
XLogP2.66
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide (CID 172630970) is 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide is CNc1nccn2c(-c3cc(C(=O)NC(C)c4ccccc4)n(C)n3)cnc12.
What is the InChIKey of 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is CQSSSDKVLWMLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13(14-7-5-4-6-8-14)24-20(28)16-11-15(25-26(16)3)17-12-23-19-18(21-2)22-9-10-27(17)19/h4-13H,1-3H3,(H,21,22)(H,24,28).
What are the key properties of 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide?
1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[8-(methylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(1-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 172630970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).