5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide

C28H26F2N10O2 — CID 170346755

About 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide

5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide (PubChem CID 170346755) has the molecular formula C28H26F2N10O2 and a molecular weight of 572.58 g/mol. Its IUPAC name is 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide
• PubChem CID: 170346755
• Molecular Formula: C28H26F2N10O2
• Molecular Weight: 572.58 g/mol
• Exact Mass: 572.22
• IUPAC Name: 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide
• SMILES: Cc1ncc(F)c(Nc2nc(F)ccc2-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4c3cnn4C3CCCCO3)n2)n1
• InChI: InChI=1S/C28H26F2N10O2/c1-13-6-8-18-16(11-34-40(18)20-5-3-4-10-42-20)21(13)23-22(31)24(25(32)41)38-27(37-23)15-7-9-19(30)36-26(15)39-28-17(29)12-33-14(2)35-28/h6-9,11-12,20H,3-5,10,31H2,1-2H3,(H2,32,41)(H,33,35,36,39)
• InChIKey: SAALOFZRLKIZTI-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 172.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.58
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide?

The IUPAC name of 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide (CID 170346755) is 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide.

What is the SMILES notation for 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide?

The canonical SMILES for 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide is Cc1ncc(F)c(Nc2nc(F)ccc2-c2nc(C(N)=O)c(N)c(-c3c(C)ccc4c3cnn4C3CCCCO3)n2)n1.

What is the InChIKey of 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide?

The InChIKey is SAALOFZRLKIZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N10O2/c1-13-6-8-18-16(11-34-40(18)20-5-3-4-10-42-20)21(13)23-22(31)24(25(32)41)38-27(37-23)15-7-9-19(30)36-26(15)39-28-17(29)12-33-14(2)35-28/h6-9,11-12,20H,3-5,10,31H2,1-2H3,(H2,32,41)(H,33,35,36,39).

What are the key properties of 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide?

5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide has a molecular weight of 572.58 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[6-fluoro-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]-3-pyridinyl]-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 170346755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).