[(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C21H24FN7O2 — CID 169142542

About [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142542) has the molecular formula C21H24FN7O2 and a molecular weight of 425.47 g/mol. Its IUPAC name is [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169142542
• Molecular Formula: C21H24FN7O2
• Molecular Weight: 425.47 g/mol
• Exact Mass: 425.20
• IUPAC Name: [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: Cc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)nccc2n1
• InChI: InChI=1S/C21H24FN7O2/c1-11-10-29-17(24-11)4-5-23-19(29)25-16-6-14(27-28-16)13-2-3-15(18(13)22)31-20(30)26-21-7-12(8-21)9-21/h4-6,10,12-13,15,18H,2-3,7-9H2,1H3,(H,26,30)(H2,23,25,27,28)/t12?,13-,15-,18+,21?/m1/s1
• InChIKey: DIVGKSSRGNBCNJ-PASFXCRDSA-N
• XLogP: 3.37
• TPSA: 109.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.47
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142542) is [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

What is the SMILES notation for [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is Cc1cn2c(Nc3cc([C@H]4CC[C@@H](OC(=O)NC56CC(C5)C6)[C@H]4F)[nH]n3)nccc2n1.

What is the InChIKey of [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is DIVGKSSRGNBCNJ-PASFXCRDSA-N. The full InChI is InChI=1S/C21H24FN7O2/c1-11-10-29-17(24-11)4-5-23-19(29)25-16-6-14(27-28-16)13-2-3-15(18(13)22)31-20(30)26-21-7-12(8-21)9-21/h4-6,10,12-13,15,18H,2-3,7-9H2,1H3,(H,26,30)(H2,23,25,27,28)/t12?,13-,15-,18+,21?/m1/s1.

What are the key properties of [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 425.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,3R)-2-fluoro-3-[3-[(2-methylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).