[2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol

C24H25F2N7O2 — CID 130425803

About [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol

[2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol (PubChem CID 130425803) has the molecular formula C24H25F2N7O2 and a molecular weight of 481.51 g/mol. Its IUPAC name is [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol.

Molecular Properties

• Compound Name: [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol
• PubChem CID: 130425803
• Molecular Formula: C24H25F2N7O2
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.20
• IUPAC Name: [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol
• SMILES: Cc1ncc(NC(O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
• InChI: InChI=1S/C24H25F2N7O2/c1-15-18(19-13-22(32-7-9-35-10-8-32)33-21(31-19)4-6-29-33)12-17(14-28-15)30-23(34)16-3-5-27-20(11-16)24(2,25)26/h3-6,11-14,23,30,34H,7-10H2,1-2H3
• InChIKey: IJWAOVDMCTXGDX-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 100.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol?

The IUPAC name of [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol (CID 130425803) is [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol.

What is the SMILES notation for [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol?

The canonical SMILES for [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol is Cc1ncc(NC(O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.

What is the InChIKey of [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol?

The InChIKey is IJWAOVDMCTXGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O2/c1-15-18(19-13-22(32-7-9-35-10-8-32)33-21(31-19)4-6-29-33)12-17(14-28-15)30-23(34)16-3-5-27-20(11-16)24(2,25)26/h3-6,11-14,23,30,34H,7-10H2,1-2H3.

What are the key properties of [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol?

[2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol has a molecular weight of 481.51 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1,1-difluoroethyl)-4-pyridinyl]-[[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]amino]methanol is sourced from PubChem (CID 130425803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).