[(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C24H31FN8O2 — CID 170122902

About [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170122902) has the molecular formula C24H31FN8O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 170122902
• Molecular Formula: C24H31FN8O2
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.26
• IUPAC Name: [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nc(C5CCNCC5)cn5nccc45)n[nH]3)[C@@H]2F)CC1
• InChI: InChI=1S/C24H31FN8O2/c1-24(7-8-24)30-23(34)35-19-3-2-15(21(19)25)16-12-20(32-31-16)29-22-18-6-11-27-33(18)13-17(28-22)14-4-9-26-10-5-14/h6,11-15,19,21,26H,2-5,7-10H2,1H3,(H,30,34)(H2,28,29,31,32)/t15-,19-,21+/m1/s1
• InChIKey: RRXRXDIQKGQNSU-VMRPVKRXSA-N
• XLogP: 3.53
• TPSA: 121.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170122902) is [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CC[C@H](c3cc(Nc4nc(C5CCNCC5)cn5nccc45)n[nH]3)[C@@H]2F)CC1.

What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is RRXRXDIQKGQNSU-VMRPVKRXSA-N. The full InChI is InChI=1S/C24H31FN8O2/c1-24(7-8-24)30-23(34)35-19-3-2-15(21(19)25)16-12-20(32-31-16)29-22-18-6-11-27-33(18)13-17(28-22)14-4-9-26-10-5-14/h6,11-15,19,21,26H,2-5,7-10H2,1H3,(H,30,34)(H2,28,29,31,32)/t15-,19-,21+/m1/s1.

What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 482.56 g/mol, XLogP of 3.53, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3R)-2-fluoro-3-[3-[(6-piperidin-4-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170122902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).