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

C24H28N8O4 — CID 164938333

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

tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]carbamate (PubChem CID 164938333) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 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]carbamate.

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]carbamate
• PubChem CID: 164938333
• Molecular Formula: C24H28N8O4
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.22
• 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]carbamate
• SMILES: COc1cncc(O[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1-c1cc(Nc2cnc(C#N)cn2)n[nH]1
• InChI: InChI=1S/C24H28N8O4/c1-24(2,3)36-23(33)29-14-5-6-16(7-14)35-19-12-26-11-18(34-4)22(19)17-8-20(32-31-17)30-21-13-27-15(9-25)10-28-21/h8,10-14,16H,5-7H2,1-4H3,(H,29,33)(H2,28,30,31,32)/t14-,16-/m1/s1
• InChIKey: AGBWHXXVAFUHFR-GDBMZVCRSA-N
• XLogP: 3.71
• TPSA: 159.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
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]carbamate?

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]carbamate (CID 164938333) is tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]carbamate.

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]carbamate?

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]carbamate is COc1cncc(O[C@@H]2CC[C@@H](NC(=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]carbamate?

The InChIKey is AGBWHXXVAFUHFR-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-24(2,3)36-23(33)29-14-5-6-16(7-14)35-19-12-26-11-18(34-4)22(19)17-8-20(32-31-17)30-21-13-27-15(9-25)10-28-21/h8,10-14,16H,5-7H2,1-4H3,(H,29,33)(H2,28,30,31,32)/t14-,16-/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]carbamate?

tert-butyl N-[(1R,3R)-3-[[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-5-methoxy-3-pyridinyl]oxy]cyclopentyl]carbamate has a molecular weight of 492.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 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]carbamate is sourced from PubChem (CID 164938333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).