[(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C27H31FN10O2 — CID 169143076

About [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143076) has the molecular formula C27H31FN10O2 and a molecular weight of 546.61 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

• Compound Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• PubChem CID: 169143076
• Molecular Formula: C27H31FN10O2
• Molecular Weight: 546.61 g/mol
• Exact Mass: 546.26
• IUPAC Name: [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
• SMILES: O=C(NC12CC(C1)C2)O[C@H]1C[C@@H](c2cc(Nc3nccc4nc(CN5CC(n6cccn6)C5)cn34)n[nH]2)C[C@H]1F
• InChI: InChI=1S/C27H31FN10O2/c28-20-6-17(7-22(20)40-26(39)33-27-9-16(10-27)11-27)21-8-23(35-34-21)32-25-29-4-2-24-31-18(13-37(24)25)12-36-14-19(15-36)38-5-1-3-30-38/h1-5,8,13,16-17,19-20,22H,6-7,9-12,14-15H2,(H,33,39)(H2,29,32,34,35)/t16?,17-,20+,22-,27?/m0/s1
• InChIKey: UHFGXHSEGQEUPC-OSOTVATISA-N
• XLogP: 3.31
• TPSA: 130.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.61
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The IUPAC name of [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143076) is [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[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 [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1C[C@@H](c2cc(Nc3nccc4nc(CN5CC(n6cccn6)C5)cn34)n[nH]2)C[C@H]1F.

What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

The InChIKey is UHFGXHSEGQEUPC-OSOTVATISA-N. The full InChI is InChI=1S/C27H31FN10O2/c28-20-6-17(7-22(20)40-26(39)33-27-9-16(10-27)11-27)21-8-23(35-34-21)32-25-29-4-2-24-31-18(13-37(24)25)12-36-14-19(15-36)38-5-1-3-30-38/h1-5,8,13,16-17,19-20,22H,6-7,9-12,14-15H2,(H,33,39)(H2,29,32,34,35)/t16?,17-,20+,22-,27?/m0/s1.

What are the key properties of [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?

[(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[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 546.61 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,4R)-2-fluoro-4-[3-[[2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]imidazo[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 169143076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).