3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide

C27H26N8O2 — CID 177283736

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

3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (PubChem CID 177283736) has the molecular formula C27H26N8O2 and a molecular weight of 494.56 g/mol. Its IUPAC name is 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• PubChem CID: 177283736
• Molecular Formula: C27H26N8O2
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.22
• IUPAC Name: 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide
• SMILES: Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(N[C@H](CO)Cc3ccccc3)n2)nc(C(N)=O)c1N
• InChI: InChI=1S/C27H26N8O2/c1-15-7-8-20-19(13-31-35-20)23(15)18-12-22(33-25(24(18)28)26(29)37)21-9-10-30-27(34-21)32-17(14-36)11-16-5-3-2-4-6-16/h2-10,12-13,17,36H,11,14,28H2,1H3,(H2,29,37)(H,31,35)(H,30,32,34)/t17-/m0/s1
• InChIKey: IQGODMZPRRCHTG-KRWDZBQOSA-N
• XLogP: 3.09
• TPSA: 168.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide (CID 177283736) is 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide.

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

The canonical SMILES for 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is Cc1ccc2[nH]ncc2c1-c1cc(-c2ccnc(N[C@H](CO)Cc3ccccc3)n2)nc(C(N)=O)c1N.

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

The InChIKey is IQGODMZPRRCHTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H26N8O2/c1-15-7-8-20-19(13-31-35-20)23(15)18-12-22(33-25(24(18)28)26(29)37)21-9-10-30-27(34-21)32-17(14-36)11-16-5-3-2-4-6-16/h2-10,12-13,17,36H,11,14,28H2,1H3,(H2,29,37)(H,31,35)(H,30,32,34)/t17-/m0/s1.

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

3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide has a molecular weight of 494.56 g/mol, XLogP of 3.09, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]pyrimidin-4-yl]-4-(5-methyl-1H-indazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 177283736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).