[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

C22H25F4N7O3 — CID 169140933

About [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169140933) has the molecular formula C22H25F4N7O3 and a molecular weight of 511.48 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169140933
• Molecular Formula: C22H25F4N7O3
• Molecular Weight: 511.48 g/mol
• Exact Mass: 511.20
• IUPAC Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cn2c(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC5(C)CC5)C4)[nH]n3)nc(C(F)(F)F)cc2n1
• InChI: InChI=1S/C22H25F4N7O3/c1-21(3-4-21)30-20(34)36-15-6-11(5-13(15)23)14-7-17(32-31-14)29-19-28-16(22(24,25)26)8-18-27-12(10-35-2)9-33(18)19/h7-9,11,13,15H,3-6,10H2,1-2H3,(H,30,34)(H2,28,29,31,32)/t11-,13+,15-/m0/s1
• InChIKey: YBGWAJAYNUOFME-LNSITVRQSA-N
• XLogP: 4.22
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.48
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 169140933) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate.

What is the SMILES notation for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc([C@H]4C[C@@H](F)[C@@H](OC(=O)NC5(C)CC5)C4)[nH]n3)nc(C(F)(F)F)cc2n1.

What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

The InChIKey is YBGWAJAYNUOFME-LNSITVRQSA-N. The full InChI is InChI=1S/C22H25F4N7O3/c1-21(3-4-21)30-20(34)36-15-6-11(5-13(15)23)14-7-17(32-31-14)29-19-28-16(22(24,25)26)8-18-27-12(10-35-2)9-33(18)19/h7-9,11,13,15H,3-6,10H2,1-2H3,(H,30,34)(H2,28,29,31,32)/t11-,13+,15-/m0/s1.

What are the key properties of [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate?

[(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 511.48 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 [(1S,2R,4R)-2-fluoro-4-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169140933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).