[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide

C29H31FN8O3 — CID 178131219

About [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide

[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide (PubChem CID 178131219) has the molecular formula C29H31FN8O3 and a molecular weight of 558.62 g/mol. Its IUPAC name is [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide.

Molecular Properties

• Compound Name: [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide
• PubChem CID: 178131219
• Molecular Formula: C29H31FN8O3
• Molecular Weight: 558.62 g/mol
• Exact Mass: 558.25
• IUPAC Name: [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide
• SMILES: COc1cnn2cc(-c3nn4c(c3C)CN(C3CC5C(C3)C5NC#N)CC4)cc(OC(CO)c3ccc(F)cn3)c12
• InChI: InChI=1S/C29H31FN8O3/c1-16-23-13-36(19-8-20-21(9-19)28(20)33-15-31)5-6-37(23)35-27(16)17-7-24(29-25(40-2)11-34-38(29)12-17)41-26(14-39)22-4-3-18(30)10-32-22/h3-4,7,10-12,19-21,26,28,33,39H,5-6,8-9,13-14H2,1-2H3
• InChIKey: UEUBOFORHGKDTP-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 125.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.62
LogP ≤ 5	2.82
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 [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide?

The IUPAC name of [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide (CID 178131219) is [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide.

What is the SMILES notation for [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide?

The canonical SMILES for [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide is COc1cnn2cc(-c3nn4c(c3C)CN(C3CC5C(C3)C5NC#N)CC4)cc(OC(CO)c3ccc(F)cn3)c12.

What is the InChIKey of [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide?

The InChIKey is UEUBOFORHGKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN8O3/c1-16-23-13-36(19-8-20-21(9-19)28(20)33-15-31)5-6-37(23)35-27(16)17-7-24(29-25(40-2)11-34-38(29)12-17)41-26(14-39)22-4-3-18(30)10-32-22/h3-4,7,10-12,19-21,26,28,33,39H,5-6,8-9,13-14H2,1-2H3.

What are the key properties of [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide?

[3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide has a molecular weight of 558.62 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]-3-methoxypyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-6-bicyclo[3.1.0]hexanyl]cyanamide is sourced from PubChem (CID 178131219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).