[(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C24H28FN9O3 — CID 169141393

About [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141393) has the molecular formula C24H28FN9O3 and a molecular weight of 509.55 g/mol. Its IUPAC name is [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169141393
• Molecular Formula: C24H28FN9O3
• Molecular Weight: 509.55 g/mol
• Exact Mass: 509.23
• IUPAC Name: [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: Cc1nc(Nc2cc([C@@H]3OC[C@H](OC(=O)NC4(C)CC4)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cnn(C)c1C
• InChI: InChI=1S/C24H28FN9O3/c1-12-18(14-10-27-33(4)13(14)2)21-26-7-8-34(21)22(28-12)29-17-9-15(31-32-17)20-19(25)16(11-36-20)37-23(35)30-24(3)5-6-24/h7-10,16,19-20H,5-6,11H2,1-4H3,(H,30,35)(H2,28,29,31,32)/t16-,19-,20-/m0/s1
• InChIKey: YHCYJUDADFHKNK-VDGAXYAQSA-N
• XLogP: 3.27
• 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	509.55
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141393) is [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is Cc1nc(Nc2cc([C@@H]3OC[C@H](OC(=O)NC4(C)CC4)[C@@H]3F)[nH]n2)n2ccnc2c1-c1cnn(C)c1C.

What is the InChIKey of [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is YHCYJUDADFHKNK-VDGAXYAQSA-N. The full InChI is InChI=1S/C24H28FN9O3/c1-12-18(14-10-27-33(4)13(14)2)21-26-7-8-34(21)22(28-12)29-17-9-15(31-32-17)20-19(25)16(11-36-20)37-23(35)30-24(3)5-6-24/h7-10,16,19-20H,5-6,11H2,1-4H3,(H,30,35)(H2,28,29,31,32)/t16-,19-,20-/m0/s1.

What are the key properties of [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 509.55 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-5-[3-[[8-(1,5-dimethylpyrazol-4-yl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).