[(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C23H25F4N7O3 — CID 169142568

About [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142568) has the molecular formula C23H25F4N7O3 and a molecular weight of 523.49 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142568
• Molecular Formula: C23H25F4N7O3
• Molecular Weight: 523.49 g/mol
• Exact Mass: 523.20
• IUPAC Name: [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)ncc(C(F)(F)F)c2n1
• InChI: InChI=1S/C23H25F4N7O3/c1-36-10-12-9-34-19(29-12)14(23(25,26)27)8-28-20(34)30-17-4-15(32-33-17)13-2-3-16(18(13)24)37-21(35)31-22-5-11(6-22)7-22/h4,8-9,11,13,16,18H,2-3,5-7,10H2,1H3,(H,31,35)(H2,28,30,32,33)/t11?,13-,16-,18-,22?/m1/s1
• InChIKey: RHODNDMZKQFWNM-NVSIFCDGSA-N
• XLogP: 4.22
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.49
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142568) is [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@@H]4F)[nH]n3)ncc(C(F)(F)F)c2n1.

What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is RHODNDMZKQFWNM-NVSIFCDGSA-N. The full InChI is InChI=1S/C23H25F4N7O3/c1-36-10-12-9-34-19(29-12)14(23(25,26)27)8-28-20(34)30-17-4-15(32-33-17)13-2-3-16(18(13)24)37-21(35)31-22-5-11(6-22)7-22/h4,8-9,11,13,16,18H,2-3,5-7,10H2,1H3,(H,31,35)(H2,28,30,32,33)/t11?,13-,16-,18-,22?/m1/s1.

What are the key properties of [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 523.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-2-fluoro-3-[3-[[2-(methoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).