[(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

C24H25FN10O3 — CID 169142872

About [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate

[(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 169142872) has the molecular formula C24H25FN10O3 and a molecular weight of 520.53 g/mol. Its IUPAC name is [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
• PubChem CID: 169142872
• Molecular Formula: C24H25FN10O3
• Molecular Weight: 520.53 g/mol
• Exact Mass: 520.21
• IUPAC Name: [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
• SMILES: CC(C)NC(=O)O[C@H]1CO[C@@H](c2cc(Nc3ncc(-c4ccnn4C4CC4)c4nc(C#N)cn34)n[nH]2)[C@H]1F
• InChI: InChI=1S/C24H25FN10O3/c1-12(2)29-24(36)38-18-11-37-21(20(18)25)16-7-19(33-32-16)31-23-27-9-15(22-30-13(8-26)10-34(22)23)17-5-6-28-35(17)14-3-4-14/h5-7,9-10,12,14,18,20-21H,3-4,11H2,1-2H3,(H,29,36)(H2,27,31,32,33)/t18-,20-,21-/m0/s1
• InChIKey: YRTIDVUHNHFLOS-JBACZVJFSA-N
• XLogP: 3.18
• TPSA: 160.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.53
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?

The IUPAC name of [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate (CID 169142872) is [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?

The canonical SMILES for [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@H]1CO[C@@H](c2cc(Nc3ncc(-c4ccnn4C4CC4)c4nc(C#N)cn34)n[nH]2)[C@H]1F.

What is the InChIKey of [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?

The InChIKey is YRTIDVUHNHFLOS-JBACZVJFSA-N. The full InChI is InChI=1S/C24H25FN10O3/c1-12(2)29-24(36)38-18-11-37-21(20(18)25)16-7-19(33-32-16)31-23-27-9-15(22-30-13(8-26)10-34(22)23)17-5-6-28-35(17)14-3-4-14/h5-7,9-10,12,14,18,20-21H,3-4,11H2,1-2H3,(H,29,36)(H2,27,31,32,33)/t18-,20-,21-/m0/s1.

What are the key properties of [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate?

[(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 520.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-5-[3-[[2-cyano-8-(2-cyclopropylpyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).