[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C25H29N9O3 — CID 169142284

About [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142284) has the molecular formula C25H29N9O3 and a molecular weight of 503.57 g/mol. Its IUPAC name is [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142284
• Molecular Formula: C25H29N9O3
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.24
• IUPAC Name: [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: Cc1nc(Nc2cc(C3CC(OC(=O)NC45CC(C4)C5)CO3)[nH]n2)n2ccnc2c1-c1cnn(C)c1C
• InChI: InChI=1S/C25H29N9O3/c1-13-21(17-11-27-33(3)14(17)2)22-26-4-5-34(22)23(28-13)29-20-7-18(31-32-20)19-6-16(12-36-19)37-24(35)30-25-8-15(9-25)10-25/h4-5,7,11,15-16,19H,6,8-10,12H2,1-3H3,(H,30,35)(H2,28,29,31,32)
• InChIKey: QEXSJGUEXWVEGD-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 136.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142284) is [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1nc(Nc2cc(C3CC(OC(=O)NC45CC(C4)C5)CO3)[nH]n2)n2ccnc2c1-c1cnn(C)c1C.

What is the InChIKey of [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is QEXSJGUEXWVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O3/c1-13-21(17-11-27-33(3)14(17)2)22-26-4-5-34(22)23(28-13)29-20-7-18(31-32-20)19-6-16(12-36-19)37-24(35)30-25-8-15(9-25)10-25/h4-5,7,11,15-16,19H,6,8-10,12H2,1-3H3,(H,30,35)(H2,28,29,31,32).

What are the key properties of [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 503.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).