[5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

C22H30N8O4 — CID 174240398

About [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate

[5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 174240398) has the molecular formula C22H30N8O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• PubChem CID: 174240398
• Molecular Formula: C22H30N8O4
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.24
• IUPAC Name: [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)OC1COC(c2cc(Nc3nccn4nc(CN5CCOCC5)cc34)n[nH]2)C1
• InChI: InChI=1S/C22H30N8O4/c1-14(2)24-22(31)34-16-10-19(33-13-16)17-11-20(27-26-17)25-21-18-9-15(28-30(18)4-3-23-21)12-29-5-7-32-8-6-29/h3-4,9,11,14,16,19H,5-8,10,12-13H2,1-2H3,(H,24,31)(H2,23,25,26,27)
• InChIKey: KYUCEXLKRYAEKT-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 130.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The IUPAC name of [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate (CID 174240398) is [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate.

What is the SMILES notation for [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The canonical SMILES for [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)OC1COC(c2cc(Nc3nccn4nc(CN5CCOCC5)cc34)n[nH]2)C1.

What is the InChIKey of [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

The InChIKey is KYUCEXLKRYAEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O4/c1-14(2)24-22(31)34-16-10-19(33-13-16)17-11-20(27-26-17)25-21-18-9-15(28-30(18)4-3-23-21)12-29-5-7-32-8-6-29/h3-4,9,11,14,16,19H,5-8,10,12-13H2,1-2H3,(H,24,31)(H2,23,25,26,27).

What are the key properties of [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate?

[5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 470.53 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 174240398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).