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

C26H24N8O2 — CID 177283580

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

3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (PubChem CID 177283580) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• PubChem CID: 177283580
• Molecular Formula: C26H24N8O2
• Molecular Weight: 480.53 g/mol
• Exact Mass: 480.20
• IUPAC Name: 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OC[C@H](N)c3ccccc3)n2)nc(C(N)=O)c1N
• InChI: InChI=1S/C26H24N8O2/c1-14-7-8-19-17(12-31-34-19)22(14)16-11-21(32-24(23(16)28)25(29)35)20-9-10-30-26(33-20)36-13-18(27)15-5-3-2-4-6-15/h2-12,18H,13,27-28H2,1H3,(H2,29,35)(H,31,34)/t18-/m0/s1
• InChIKey: TUHLYNQWXUWBDD-SFHVURJKSA-N
• XLogP: 3.15
• TPSA: 171.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.53
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (CID 177283580) is 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(OC[C@H](N)c3ccccc3)n2)nc(C(N)=O)c1N.

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

The InChIKey is TUHLYNQWXUWBDD-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-14-7-8-19-17(12-31-34-19)22(14)16-11-21(32-24(23(16)28)25(29)35)20-9-10-30-26(33-20)36-13-18(27)15-5-3-2-4-6-15/h2-12,18H,13,27-28H2,1H3,(H2,29,35)(H,31,34)/t18-/m0/s1.

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

3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[2-[(2R)-2-amino-2-phenylethoxy]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).