3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide

C25H28N8O2 — CID 177283595

About 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide

3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (PubChem CID 177283595) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• PubChem CID: 177283595
• Molecular Formula: C25H28N8O2
• Molecular Weight: 472.55 g/mol
• Exact Mass: 472.23
• IUPAC Name: 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(N3CCCCC3CCO)n2)nc(C(N)=O)c1N
• InChI: InChI=1S/C25H28N8O2/c1-14-5-6-18-17(13-29-32-18)21(14)16-12-20(30-23(22(16)26)24(27)35)19-7-9-28-25(31-19)33-10-3-2-4-15(33)8-11-34/h5-7,9,12-13,15,34H,2-4,8,10-11,26H2,1H3,(H2,27,35)(H,29,32)
• InChIKey: LEOPEGBNCYGEAH-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 159.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.55
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (CID 177283595) is 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(N3CCCCC3CCO)n2)nc(C(N)=O)c1N.

What is the InChIKey of 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?

The InChIKey is LEOPEGBNCYGEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-14-5-6-18-17(13-29-32-18)21(14)16-12-20(30-23(22(16)26)24(27)35)19-7-9-28-25(31-19)33-10-3-2-4-15(33)8-11-34/h5-7,9,12-13,15,34H,2-4,8,10-11,26H2,1H3,(H2,27,35)(H,29,32).

What are the key properties of 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide?

3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 2.81, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[2-[2-(2-hydroxyethyl)piperidin-1-yl]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177283595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).