2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide

C23H23N7O2 — CID 157178490

IUPAC2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(N(C)C(=O)c4ccnn4CC(N)=O)c(C)c3)ncc2n1
InChIInChI=1S/C23H23N7O2/c1-13-10-16(22-25-11-17-21(28-22)14(2)9-15(3)27-17)5-6-18(13)29(4)23(32)19-7-8-26-30(19)12-20(24)31/h5-11H,12H2,1-4H3,(H2,24,31)
InChIKeyAOHJSHDYQZLUIE-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.58
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide

2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide (PubChem CID 157178490) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide
PubChem CID157178490
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(N(C)C(=O)c4ccnn4CC(N)=O)c(C)c3)ncc2n1
InChIInChI=1S/C23H23N7O2/c1-13-10-16(22-25-11-17-21(28-22)14(2)9-15(3)27-17)5-6-18(13)29(4)23(32)19-7-8-26-30(19)12-20(24)31/h5-11H,12H2,1-4H3,(H2,24,31)
InChIKeyAOHJSHDYQZLUIE-UHFFFAOYSA-N
XLogP2.58
TPSA119.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide (CID 157178490) is 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide is Cc1cc(C)c2nc(-c3ccc(N(C)C(=O)c4ccnn4CC(N)=O)c(C)c3)ncc2n1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is AOHJSHDYQZLUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-13-10-16(22-25-11-17-21(28-22)14(2)9-15(3)27-17)5-6-18(13)29(4)23(32)19-7-8-26-30(19)12-20(24)31/h5-11H,12H2,1-4H3,(H2,24,31).
What are the key properties of 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide?
2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 157178490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).