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

C24H28F2N8O2 — CID 169143536

IUPAC[(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)C5)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C24H28F2N8O2/c25-14-9-33(10-14)11-15-12-34-20(28-15)3-4-27-22(34)29-19-5-17(31-32-19)16-1-2-18(21(16)26)36-23(35)30-24-6-13(7-24)8-24/h3-5,12-14,16,18,21H,1-2,6-11H2,(H,30,35)(H2,27,29,31,32)/t13?,16-,18-,21+,24?/m0/s1
InChIKeyXLCSCPIBVONZFB-PQRRQJLXSA-N
MW498.54 g/mol
LogP3.21
Rot. Bonds7

About [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 169143536) has the molecular formula C24H28F2N8O2 and a molecular weight of 498.54 g/mol. Its IUPAC name is [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 CID169143536
Molecular FormulaC24H28F2N8O2
Molecular Weight498.54 g/mol
Exact Mass498.23
IUPAC Name[(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)C5)cn34)n[nH]2)[C@H]1F
InChIInChI=1S/C24H28F2N8O2/c25-14-9-33(10-14)11-15-12-34-20(28-15)3-4-27-22(34)29-19-5-17(31-32-19)16-1-2-18(21(16)26)36-23(35)30-24-6-13(7-24)8-24/h3-5,12-14,16,18,21H,1-2,6-11H2,(H,30,35)(H2,27,29,31,32)/t13?,16-,18-,21+,24?/m0/s1
InChIKeyXLCSCPIBVONZFB-PQRRQJLXSA-N
XLogP3.21
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 169143536) is [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)C5)cn34)n[nH]2)[C@H]1F.
What is the InChIKey of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 XLCSCPIBVONZFB-PQRRQJLXSA-N. The full InChI is InChI=1S/C24H28F2N8O2/c25-14-9-33(10-14)11-15-12-34-20(28-15)3-4-27-22(34)29-19-5-17(31-32-19)16-1-2-18(21(16)26)36-23(35)30-24-6-13(7-24)8-24/h3-5,12-14,16,18,21H,1-2,6-11H2,(H,30,35)(H2,27,29,31,32)/t13?,16-,18-,21+,24?/m0/s1.
What are the key properties of [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 498.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-fluoro-3-[3-[[2-[(3-fluoroazetidin-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 169143536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).