N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide

C22H26F2N8O — CID 175990722

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide (PubChem CID 175990722) has the molecular formula C22H26F2N8O and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 175990722
• Molecular Formula: C22H26F2N8O
• Molecular Weight: 456.50 g/mol
• Exact Mass: 456.22
• IUPAC Name: N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cc3n(n2)CCN(C)[C@@H]3C)cn1
• InChI: InChI=1S/C22H26F2N8O/c1-12-8-20(29-21(26-12)22(4,23)24)28-16-10-19(27-14(3)33)25-11-15(16)17-9-18-13(2)31(5)6-7-32(18)30-17/h8-11,13H,6-7H2,1-5H3,(H2,25,26,27,28,29,33)/t13-/m1/s1
• InChIKey: WBQQZSQKDRBPCZ-CYBMUJFWSA-N
• XLogP: 3.86
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.50
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide (CID 175990722) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cc3n(n2)CCN(C)[C@@H]3C)cn1.

What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is WBQQZSQKDRBPCZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H26F2N8O/c1-12-8-20(29-21(26-12)22(4,23)24)28-16-10-19(27-14(3)33)25-11-15(16)17-9-18-13(2)31(5)6-7-32(18)30-17/h8-11,13H,6-7H2,1-5H3,(H2,25,26,27,28,29,33)/t13-/m1/s1.

What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide?

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 456.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[(4R)-4,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 175990722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).