[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H28FN7O3 — CID 169142691

About [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142691) has the molecular formula C23H28FN7O3 and a molecular weight of 469.52 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142691
• Molecular Formula: C23H28FN7O3
• Molecular Weight: 469.52 g/mol
• Exact Mass: 469.22
• IUPAC Name: [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: COCc1nn2ccnc(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)c2c1C
• InChI: InChI=1S/C23H28FN7O3/c1-12-16(11-33-2)30-31-6-5-25-21(20(12)31)26-18-7-15(28-29-18)14-3-4-17(19(14)24)34-22(32)27-23-8-13(9-23)10-23/h5-7,13-14,17,19H,3-4,8-11H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t13?,14-,17-,19+,23?/m1/s1
• InChIKey: AHAIZKPKZPBKPT-GEBGWVOHSA-N
• XLogP: 3.51
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.52
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142691) is [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COCc1nn2ccnc(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)c2c1C.

What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is AHAIZKPKZPBKPT-GEBGWVOHSA-N. The full InChI is InChI=1S/C23H28FN7O3/c1-12-16(11-33-2)30-31-6-5-25-21(20(12)31)26-18-7-15(28-29-18)14-3-4-17(19(14)24)34-22(32)27-23-8-13(9-23)10-23/h5-7,13-14,17,19H,3-4,8-11H2,1-2H3,(H,27,32)(H2,25,26,28,29)/t13?,14-,17-,19+,23?/m1/s1.

What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 469.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).