N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H22N8O3 — CID 53328444

About N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328444) has the molecular formula C22H22N8O3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 53328444
• Molecular Formula: C22H22N8O3
• Molecular Weight: 446.47 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1
• InChI: InChI=1S/C22H22N8O3/c1-33-13-15-5-6-18(26-16-11-23-14-24-12-16)21(27-15)22(32)28-20-10-19(29-30(20)8-9-31)17-4-2-3-7-25-17/h2-7,10-12,14,26,31H,8-9,13H2,1H3,(H,28,32)
• InChIKey: GOTMAOILGUWVLE-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 139.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.47
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328444) is N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1.

What is the InChIKey of N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is GOTMAOILGUWVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3/c1-33-13-15-5-6-18(26-16-11-23-14-24-12-16)21(27-15)22(32)28-20-10-19(29-30(20)8-9-31)17-4-2-3-7-25-17/h2-7,10-12,14,26,31H,8-9,13H2,1H3,(H,28,32).

What are the key properties of N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 2.26, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-hydroxyethyl)-3-pyridin-2-ylpyrazol-5-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).