4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

C28H33N11O3 — CID 121409164

About 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide

4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (PubChem CID 121409164) has the molecular formula C28H33N11O3 and a molecular weight of 571.65 g/mol. Its IUPAC name is 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
• PubChem CID: 121409164
• Molecular Formula: C28H33N11O3
• Molecular Weight: 571.65 g/mol
• Exact Mass: 571.28
• IUPAC Name: 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
• SMILES: Cn1cc(-c2cnc(N)c(OCC3CCN(c4nc(OCC5(C#N)CC5)nc(C(=O)NC56CC(C5)C6)n4)CC3)c2)nn1
• InChI: InChI=1S/C28H33N11O3/c1-38-13-20(36-37-38)19-8-21(22(30)31-12-19)41-14-17-2-6-39(7-3-17)25-32-23(24(40)35-28-9-18(10-28)11-28)33-26(34-25)42-16-27(15-29)4-5-27/h8,12-13,17-18H,2-7,9-11,14,16H2,1H3,(H2,30,31)(H,35,40)
• InChIKey: PWWMUWBUUJZCFZ-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 182.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.65
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

The IUPAC name of 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide (CID 121409164) is 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide.

What is the SMILES notation for 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

The canonical SMILES for 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is Cn1cc(-c2cnc(N)c(OCC3CCN(c4nc(OCC5(C#N)CC5)nc(C(=O)NC56CC(C5)C6)n4)CC3)c2)nn1.

What is the InChIKey of 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

The InChIKey is PWWMUWBUUJZCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N11O3/c1-38-13-20(36-37-38)19-8-21(22(30)31-12-19)41-14-17-2-6-39(7-3-17)25-32-23(24(40)35-28-9-18(10-28)11-28)33-26(34-25)42-16-27(15-29)4-5-27/h8,12-13,17-18H,2-7,9-11,14,16H2,1H3,(H2,30,31)(H,35,40).

What are the key properties of 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide?

4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide has a molecular weight of 571.65 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[2-amino-5-(1-methyltriazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)-6-[(1-cyanocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 121409164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).