[(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C23H28FN7O4 — CID 169141529

About [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141529) has the molecular formula C23H28FN7O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169141529
• Molecular Formula: C23H28FN7O4
• Molecular Weight: 485.52 g/mol
• Exact Mass: 485.22
• IUPAC Name: [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cc2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C3CC3)cn2n1
• InChI: InChI=1S/C23H28FN7O4/c1-23(5-6-23)27-22(32)35-17-11-34-20(19(17)24)14-8-18(29-28-14)26-21-16-7-13(10-33-2)30-31(16)9-15(25-21)12-3-4-12/h7-9,12,17,19-20H,3-6,10-11H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t17-,19-,20-/m0/s1
• InChIKey: XTPIYSDBDGQICV-IHPCNDPISA-N
• XLogP: 3.28
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141529) is [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-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-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COCc1cc2c(Nc3cc([C@@H]4OC[C@H](OC(=O)NC5(C)CC5)[C@@H]4F)[nH]n3)nc(C3CC3)cn2n1.

What is the InChIKey of [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is XTPIYSDBDGQICV-IHPCNDPISA-N. The full InChI is InChI=1S/C23H28FN7O4/c1-23(5-6-23)27-22(32)35-17-11-34-20(19(17)24)14-8-18(29-28-14)26-21-16-7-13(10-33-2)30-31(16)9-15(25-21)12-3-4-12/h7-9,12,17,19-20H,3-6,10-11H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t17-,19-,20-/m0/s1.

What are the key properties of [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate?

[(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 485.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).