[(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C24H23FN10O3 — CID 169143599

About [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143599) has the molecular formula C24H23FN10O3 and a molecular weight of 518.51 g/mol. Its IUPAC name is [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169143599
• Molecular Formula: C24H23FN10O3
• Molecular Weight: 518.51 g/mol
• Exact Mass: 518.19
• IUPAC Name: [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: Cc1cn(-c2cnc(Nc3cc([C@H]4OC[C@@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)n3cc(C#N)nc23)cn1
• InChI: InChI=1S/C24H23FN10O3/c1-12-8-34(11-28-12)16-7-27-22(35-9-14(6-26)29-21(16)35)30-18-2-15(32-33-18)20-19(25)17(10-37-20)38-23(36)31-24-3-13(4-24)5-24/h2,7-9,11,13,17,19-20H,3-5,10H2,1H3,(H,31,36)(H2,27,30,32,33)/t13?,17-,19+,20-,24?/m1/s1
• InChIKey: QGBZMUYVAYLCFV-CUPKBSNMSA-N
• XLogP: 2.62
• TPSA: 160.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.51
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143599) is [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1cn(-c2cnc(Nc3cc([C@H]4OC[C@@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)n3cc(C#N)nc23)cn1.

What is the InChIKey of [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is QGBZMUYVAYLCFV-CUPKBSNMSA-N. The full InChI is InChI=1S/C24H23FN10O3/c1-12-8-34(11-28-12)16-7-27-22(35-9-14(6-26)29-21(16)35)30-18-2-15(32-33-18)20-19(25)17(10-37-20)38-23(36)31-24-3-13(4-24)5-24/h2,7-9,11,13,17,19-20H,3-5,10H2,1H3,(H,31,36)(H2,27,30,32,33)/t13?,17-,19+,20-,24?/m1/s1.

What are the key properties of [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 518.51 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R,5R)-5-[3-[[2-cyano-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169143599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).