N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

C41H45N9O6 — CID 123917063

About N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 123917063) has the molecular formula C41H45N9O6 and a molecular weight of 759.87 g/mol. Its IUPAC name is N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
• PubChem CID: 123917063
• Molecular Formula: C41H45N9O6
• Molecular Weight: 759.87 g/mol
• Exact Mass: 759.35
• IUPAC Name: N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
• SMILES: CNC(=O)c1cccc(-c2n[nH]c3cc(CC4CC(Oc5nc(C)cc6[nH]nc(-c7ccnc(N8CCOCC8)c7)c56)CCO4)nc(OC4CCOCC4)c23)c1
• InChI: InChI=1S/C41H45N9O6/c1-24-18-32-35(38(49-46-32)26-6-10-43-34(20-26)50-11-16-53-17-12-50)40(44-24)56-30-9-15-54-31(23-30)21-28-22-33-36(41(45-28)55-29-7-13-52-14-8-29)37(48-47-33)25-4-3-5-27(19-25)39(51)42-2/h3-6,10,18-20,22,29-31H,7-9,11-17,21,23H2,1-2H3,(H,42,51)(H,46,49)(H,47,48)
• InChIKey: MKKRHJMMLJVYJL-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 174.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.87
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?

The IUPAC name of N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 123917063) is N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

What is the SMILES notation for N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?

The canonical SMILES for N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is CNC(=O)c1cccc(-c2n[nH]c3cc(CC4CC(Oc5nc(C)cc6[nH]nc(-c7ccnc(N8CCOCC8)c7)c56)CCO4)nc(OC4CCOCC4)c23)c1.

What is the InChIKey of N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?

The InChIKey is MKKRHJMMLJVYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N9O6/c1-24-18-32-35(38(49-46-32)26-6-10-43-34(20-26)50-11-16-53-17-12-50)40(44-24)56-30-9-15-54-31(23-30)21-28-22-33-36(41(45-28)55-29-7-13-52-14-8-29)37(48-47-33)25-4-3-5-27(19-25)39(51)42-2/h3-6,10,18-20,22,29-31H,7-9,11-17,21,23H2,1-2H3,(H,42,51)(H,46,49)(H,47,48).

What are the key properties of N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?

N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 759.87 g/mol, XLogP of 5.19, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[6-[[4-[[6-methyl-3-(2-morpholin-4-yl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]oxy]oxan-2-yl]methyl]-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 123917063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).