[5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C21H24F3N7O4 — CID 169142711

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

[5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169142711) has the molecular formula C21H24F3N7O4 and a molecular weight of 495.46 g/mol. Its IUPAC name is [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

• Compound Name: [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• PubChem CID: 169142711
• Molecular Formula: C21H24F3N7O4
• Molecular Weight: 495.46 g/mol
• Exact Mass: 495.18
• IUPAC Name: [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
• SMILES: COCc1cn2c(Nc3cc(C4CC(OC(=O)NC5(C)CC5)CO4)[nH]n3)nc(C(F)(F)F)cc2n1
• InChI: InChI=1S/C21H24F3N7O4/c1-20(3-4-20)28-19(32)35-12-5-14(34-10-12)13-6-16(30-29-13)27-18-26-15(21(22,23)24)7-17-25-11(9-33-2)8-31(17)18/h6-8,12,14H,3-5,9-10H2,1-2H3,(H,28,32)(H2,26,27,29,30)
• InChIKey: QNVUKEGKDBWYMM-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 127.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.46
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169142711) is [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

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

The canonical SMILES for [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is COCc1cn2c(Nc3cc(C4CC(OC(=O)NC5(C)CC5)CO4)[nH]n3)nc(C(F)(F)F)cc2n1.

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

The InChIKey is QNVUKEGKDBWYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O4/c1-20(3-4-20)28-19(32)35-12-5-14(34-10-12)13-6-16(30-29-13)27-18-26-15(21(22,23)24)7-17-25-11(9-33-2)8-31(17)18/h6-8,12,14H,3-5,9-10H2,1-2H3,(H,28,32)(H2,26,27,29,30).

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

[5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 495.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[3-[[2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169142711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).