5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide

C35H32N10O3 — CID 122446309

About 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide

5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide (PubChem CID 122446309) has the molecular formula C35H32N10O3 and a molecular weight of 640.71 g/mol. Its IUPAC name is 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 122446309
• Molecular Formula: C35H32N10O3
• Molecular Weight: 640.71 g/mol
• Exact Mass: 640.27
• IUPAC Name: 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(COC)ncc23)cn1.COCc1cc2[nH]c3nc(-c4cnn(C)c4)ccc3c2cn1
• InChI: InChI=1S/C19H17N5O2.C16H15N5O/c1-20-19(25)16-5-3-11(8-22-16)15-6-4-13-14-9-21-12(10-26-2)7-17(14)24-18(13)23-15;1-21-8-10(6-18-21)14-4-3-12-13-7-17-11(9-22-2)5-15(13)20-16(12)19-14/h3-9H,10H2,1-2H3,(H,20,25)(H,23,24);3-8H,9H2,1-2H3,(H,19,20)
• InChIKey: GLDXSHDGMIXLPY-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 161.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.71
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide (CID 122446309) is 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc3c(n2)[nH]c2cc(COC)ncc23)cn1.COCc1cc2[nH]c3nc(-c4cnn(C)c4)ccc3c2cn1.

What is the InChIKey of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is GLDXSHDGMIXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2.C16H15N5O/c1-20-19(25)16-5-3-11(8-22-16)15-6-4-13-14-9-21-12(10-26-2)7-17(14)24-18(13)23-15;1-21-8-10(6-18-21)14-4-3-12-13-7-17-11(9-22-2)5-15(13)20-16(12)19-14/h3-9H,10H2,1-2H3,(H,20,25)(H,23,24);3-8H,9H2,1-2H3,(H,19,20).

What are the key properties of 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide?

5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 640.71 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methoxymethyl)-11-(1-methylpyrazol-4-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-[5-(methoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122446309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).