tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate

C25H30N8O4 — CID 164938391

About tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate

tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate (PubChem CID 164938391) has the molecular formula C25H30N8O4 and a molecular weight of 506.57 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate
• PubChem CID: 164938391
• Molecular Formula: C25H30N8O4
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.24
• IUPAC Name: tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate
• SMILES: COc1cncc(O[C@@H]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C25H30N8O4/c1-25(2,3)37-24(34)33(4)16-6-7-17(8-16)36-20-13-27-12-19(35-5)23(20)18-9-21(32-31-18)30-22-14-28-15(10-26)11-29-22/h9,11-14,16-17H,6-8H2,1-5H3,(H2,29,30,31,32)/t16-,17-/m1/s1
• InChIKey: LGSDDCAYKRJMPG-IAGOWNOFSA-N
• XLogP: 4.05
• TPSA: 151.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate (CID 164938391) is tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate is COc1cncc(O[C@@H]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1.

What is the InChIKey of tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate?

The InChIKey is LGSDDCAYKRJMPG-IAGOWNOFSA-N. The full InChI is InChI=1S/C25H30N8O4/c1-25(2,3)37-24(34)33(4)16-6-7-17(8-16)36-20-13-27-12-19(35-5)23(20)18-9-21(32-31-18)30-22-14-28-15(10-26)11-29-22/h9,11-14,16-17H,6-8H2,1-5H3,(H2,29,30,31,32)/t16-,17-/m1/s1.

What are the key properties of tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate?

tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate has a molecular weight of 506.57 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]-N-methylcarbamate is sourced from PubChem (CID 164938391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).