[(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H24FN7O2 — CID 169142257

About [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 169142257) has the molecular formula C19H24FN7O2 and a molecular weight of 401.45 g/mol. Its IUPAC name is [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• PubChem CID: 169142257
• Molecular Formula: C19H24FN7O2
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.20
• IUPAC Name: [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
• SMILES: Cc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nccc2n1
• InChI: InChI=1S/C19H24FN7O2/c1-10(2)22-19(28)29-14-5-4-12(17(14)20)13-8-15(26-25-13)24-18-21-7-6-16-23-11(3)9-27(16)18/h6-10,12,14,17H,4-5H2,1-3H3,(H,22,28)(H2,21,24,25,26)/t12-,14-,17-/m1/s1
• InChIKey: QBLUWUPFIDDQRJ-SUYBPPKGSA-N
• XLogP: 3.22
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 169142257) is [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

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

The canonical SMILES for [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is Cc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC(C)C)[C@@H]4F)[nH]n3)nccc2n1.

What is the InChIKey of [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?

The InChIKey is QBLUWUPFIDDQRJ-SUYBPPKGSA-N. The full InChI is InChI=1S/C19H24FN7O2/c1-10(2)22-19(28)29-14-5-4-12(17(14)20)13-8-15(26-25-13)24-18-21-7-6-16-23-11(3)9-27(16)18/h6-10,12,14,17H,4-5H2,1-3H3,(H,22,28)(H2,21,24,25,26)/t12-,14-,17-/m1/s1.

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

[(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 401.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2R,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 169142257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).