[(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

C21H25FN8O3 — CID 169142028

About [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169142028) has the molecular formula C21H25FN8O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169142028
• Molecular Formula: C21H25FN8O3
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.20
• IUPAC Name: [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
• SMILES: COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)ncc(C#N)c2n1
• InChI: InChI=1S/C21H25FN8O3/c1-11(2)25-21(31)33-16-5-4-14(18(16)22)15-6-17(29-28-15)27-20-24-8-12(7-23)19-26-13(10-32-3)9-30(19)20/h6,8-9,11,14,16,18H,4-5,10H2,1-3H3,(H,25,31)(H2,24,27,28,29)/t14-,16-,18-/m1/s1
• InChIKey: NWQFOKAQJAIVTA-QGPMSJSTSA-N
• XLogP: 2.93
• TPSA: 142.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The IUPAC name of [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate (CID 169142028) is [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate.

What is the SMILES notation for [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The canonical SMILES for [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is COCc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)ncc(C#N)c2n1.

What is the InChIKey of [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is NWQFOKAQJAIVTA-QGPMSJSTSA-N. The full InChI is InChI=1S/C21H25FN8O3/c1-11(2)25-21(31)33-16-5-4-14(18(16)22)15-6-17(29-28-15)27-20-24-8-12(7-23)19-26-13(10-32-3)9-30(19)20/h6,8-9,11,14,16,18H,4-5,10H2,1-3H3,(H,25,31)(H2,24,27,28,29)/t14-,16-,18-/m1/s1.

What are the key properties of [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate?

[(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 456.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-3-[3-[[8-cyano-2-(methoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).