[(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C21H25F4N7O3 — CID 169142764

About [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169142764) has the molecular formula C21H25F4N7O3 and a molecular weight of 499.47 g/mol. Its IUPAC name is [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169142764
• Molecular Formula: C21H25F4N7O3
• Molecular Weight: 499.47 g/mol
• Exact Mass: 499.20
• IUPAC Name: [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: Cc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@@H]3CC[C@H](OC(=O)NC(C)C)[C@H]3F)[nH]n2)n1
• InChI: InChI=1S/C21H25F4N7O3/c1-10(2)26-20(33)35-15-5-4-13(18(15)22)14-7-16(31-30-14)29-19-27-11(3)6-17-28-12(8-32(17)19)9-34-21(23,24)25/h6-8,10,13,15,18H,4-5,9H2,1-3H3,(H,26,33)(H2,27,29,30,31)/t13-,15-,18-/m0/s1
• InChIKey: ZCFWGASCFBPLPE-YEWWUXTCSA-N
• XLogP: 4.26
• TPSA: 118.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.47
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169142764) is [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is Cc1cc2nc(COC(F)(F)F)cn2c(Nc2cc([C@@H]3CC[C@H](OC(=O)NC(C)C)[C@H]3F)[nH]n2)n1.

What is the InChIKey of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is ZCFWGASCFBPLPE-YEWWUXTCSA-N. The full InChI is InChI=1S/C21H25F4N7O3/c1-10(2)26-20(33)35-15-5-4-13(18(15)22)14-7-16(31-30-14)29-19-27-11(3)6-17-28-12(8-32(17)19)9-34-21(23,24)25/h6-8,10,13,15,18H,4-5,9H2,1-3H3,(H,26,33)(H2,27,29,30,31)/t13-,15-,18-/m0/s1.

What are the key properties of [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

[(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 499.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,3S)-2-fluoro-3-[3-[[7-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).