[4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide

C29H31F3N8O3 — CID 178131269

About [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide

[4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide (PubChem CID 178131269) has the molecular formula C29H31F3N8O3 and a molecular weight of 596.61 g/mol. Its IUPAC name is [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide.

Molecular Properties

• Compound Name: [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide
• PubChem CID: 178131269
• Molecular Formula: C29H31F3N8O3
• Molecular Weight: 596.61 g/mol
• Exact Mass: 596.25
• IUPAC Name: [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide
• SMILES: Cc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(OC(F)F)cnn3c2)nn2c1CN(C1CCC(NC#N)CC1)CC2
• InChI: InChI=1S/C29H31F3N8O3/c1-17-23-14-38(21-5-3-20(4-6-21)35-16-33)8-9-39(23)37-27(17)18-10-24(28-25(43-29(31)32)12-36-40(28)13-18)42-26(15-41)22-7-2-19(30)11-34-22/h2,7,10-13,20-21,26,29,35,41H,3-6,8-9,14-15H2,1H3
• InChIKey: VISCPEMMLNOCKD-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 125.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.61
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide?

The IUPAC name of [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide (CID 178131269) is [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide.

What is the SMILES notation for [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide?

The canonical SMILES for [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide is Cc1c(-c2cc(OC(CO)c3ccc(F)cn3)c3c(OC(F)F)cnn3c2)nn2c1CN(C1CCC(NC#N)CC1)CC2.

What is the InChIKey of [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide?

The InChIKey is VISCPEMMLNOCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N8O3/c1-17-23-14-38(21-5-3-20(4-6-21)35-16-33)8-9-39(23)37-27(17)18-10-24(28-25(43-29(31)32)12-36-40(28)13-18)42-26(15-41)22-7-2-19(30)11-34-22/h2,7,10-13,20-21,26,29,35,41H,3-6,8-9,14-15H2,1H3.

What are the key properties of [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide?

[4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide has a molecular weight of 596.61 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[3-(difluoromethoxy)-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]cyclohexyl]cyanamide is sourced from PubChem (CID 178131269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).