1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

C24H28FN9O2 — CID 142754092

About 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 142754092) has the molecular formula C24H28FN9O2 and a molecular weight of 493.55 g/mol. Its IUPAC name is 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
• PubChem CID: 142754092
• Molecular Formula: C24H28FN9O2
• Molecular Weight: 493.55 g/mol
• Exact Mass: 493.23
• IUPAC Name: 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
• SMILES: COCCn1nc(-c2ccc(F)cn2)c(C)c1Nc1cc(-n2nc(C)c(C(=O)N(C)C)c2C)ncn1
• InChI: InChI=1S/C24H28FN9O2/c1-14-22(18-8-7-17(25)12-26-18)31-33(9-10-36-6)23(14)29-19-11-20(28-13-27-19)34-16(3)21(15(2)30-34)24(35)32(4)5/h7-8,11-13H,9-10H2,1-6H3,(H,27,28,29)
• InChIKey: WNDLMGSBEAKJFO-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 115.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.55
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The IUPAC name of 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (CID 142754092) is 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The canonical SMILES for 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide is COCCn1nc(-c2ccc(F)cn2)c(C)c1Nc1cc(-n2nc(C)c(C(=O)N(C)C)c2C)ncn1.

What is the InChIKey of 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The InChIKey is WNDLMGSBEAKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN9O2/c1-14-22(18-8-7-17(25)12-26-18)31-33(9-10-36-6)23(14)29-19-11-20(28-13-27-19)34-16(3)21(15(2)30-34)24(35)32(4)5/h7-8,11-13H,9-10H2,1-6H3,(H,27,28,29).

What are the key properties of 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[3-(5-fluoro-2-pyridinyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 142754092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).