6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C59H56N12O4 — CID 134364966

About 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134364966) has the molecular formula C59H56N12O4 and a molecular weight of 997.18 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• PubChem CID: 134364966
• Molecular Formula: C59H56N12O4
• Molecular Weight: 997.18 g/mol
• Exact Mass: 996.45
• IUPAC Name: 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
• SMILES: COc1ccc(-c2c(Nc3ccccn3)nc3c(N4CCCCC4)c(-c4ccccc4)nn3c2OCc2ccc(Nc3nc4c(N5CCCCC5)c(-c5ccccc5)[nH]n4c(=O)c3-c3ccc(OC)cc3)nc2)cc1
• InChI: InChI=1S/C59H56N12O4/c1-73-44-27-23-40(24-28-44)48-54(64-56-52(68-33-13-5-14-34-68)50(66-70(56)58(48)72)42-17-7-3-8-18-42)63-47-31-22-39(37-61-47)38-75-59-49(41-25-29-45(74-2)30-26-41)55(62-46-21-11-12-32-60-46)65-57-53(69-35-15-6-16-36-69)51(67-71(57)59)43-19-9-4-10-20-43/h3-4,7-12,17-32,37,66H,5-6,13-16,33-36,38H2,1-2H3,(H,61,63)(H,60,62,65)
• InChIKey: QWPLNTVYBFBLBT-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 164.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	997.18
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The IUPAC name of 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134364966) is 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

What is the SMILES notation for 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The canonical SMILES for 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3ccccn3)nc3c(N4CCCCC4)c(-c4ccccc4)nn3c2OCc2ccc(Nc3nc4c(N5CCCCC5)c(-c5ccccc5)[nH]n4c(=O)c3-c3ccc(OC)cc3)nc2)cc1.

What is the InChIKey of 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

The InChIKey is QWPLNTVYBFBLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H56N12O4/c1-73-44-27-23-40(24-28-44)48-54(64-56-52(68-33-13-5-14-34-68)50(66-70(56)58(48)72)42-17-7-3-8-18-42)63-47-31-22-39(37-61-47)38-75-59-49(41-25-29-45(74-2)30-26-41)55(62-46-21-11-12-32-60-46)65-57-53(69-35-15-6-16-36-69)51(67-71(57)59)43-19-9-4-10-20-43/h3-4,7-12,17-32,37,66H,5-6,13-16,33-36,38H2,1-2H3,(H,61,63)(H,60,62,65).

What are the key properties of 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?

6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 997.18 g/mol, XLogP of 11.59, 15 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyphenyl)-5-[[5-[[6-(4-methoxyphenyl)-2-phenyl-3-piperidin-1-yl-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]oxymethyl]-2-pyridinyl]amino]-2-phenyl-3-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134364966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).