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

C24H27F3N8O2 — CID 169142991

IUPAC[(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)(F)C5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C24H27F3N8O2/c25-20-15(1-2-17(20)37-22(36)31-23-6-13(7-23)8-23)16-5-18(33-32-16)30-21-28-4-3-19-29-14(10-35(19)21)9-34-11-24(26,27)12-34/h3-5,10,13,15,17,20H,1-2,6-9,11-12H2,(H,31,36)(H2,28,30,32,33)/t13?,15-,17-,20-,23?/m0/s1
InChIKeyUXDQEUJRDFGFND-HZWQPLEESA-N
MW516.53 g/mol
LogP3.51
Rot. Bonds7

About [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169142991) has the molecular formula C24H27F3N8O2 and a molecular weight of 516.53 g/mol. Its IUPAC name is [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169142991
Molecular FormulaC24H27F3N8O2
Molecular Weight516.53 g/mol
Exact Mass516.22
IUPAC Name[(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)(F)C5)cn34)n[nH]2)[C@@H]1F
InChIInChI=1S/C24H27F3N8O2/c25-20-15(1-2-17(20)37-22(36)31-23-6-13(7-23)8-23)16-5-18(33-32-16)30-21-28-4-3-19-29-14(10-35(19)21)9-34-11-24(26,27)12-34/h3-5,10,13,15,17,20H,1-2,6-9,11-12H2,(H,31,36)(H2,28,30,32,33)/t13?,15-,17-,20-,23?/m0/s1
InChIKeyUXDQEUJRDFGFND-HZWQPLEESA-N
XLogP3.51
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.53
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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
[(1R,2S,3R)-2-fluoro-3-[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 169141239
[(1R,2S,3R)-3-[3-[(2-cyclopropylimidazo[1,2-c]pyrimidin-5-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169143340
[(3R,4S,5R)-5-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142922
[(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
[(1R,2R,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142731
[(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141254
[(1R,2R,3R)-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-methylcyclopropyl)carbamate
CID 169142761
[(1S,2R,3S)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169143103
[(1S,2S,3S)-3-[3-[[2-[[3-(difluoromethoxy)azetidin-1-yl]methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141996
[(1R,2S,3R)-3-[3-[[2-(azetidin-1-ylmethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(2-cyclobutylethyl)carbamate
CID 169142944
[(3R,4S,5R)-4-fluoro-5-[3-[[2-[(3-fluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142899

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169142991) is [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1CC[C@@H](c2cc(Nc3nccc4nc(CN5CC(F)(F)C5)cn34)n[nH]2)[C@@H]1F.
What is the InChIKey of [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is UXDQEUJRDFGFND-HZWQPLEESA-N. The full InChI is InChI=1S/C24H27F3N8O2/c25-20-15(1-2-17(20)37-22(36)31-23-6-13(7-23)8-23)16-5-18(33-32-16)30-21-28-4-3-19-29-14(10-35(19)21)9-34-11-24(26,27)12-34/h3-5,10,13,15,17,20H,1-2,6-9,11-12H2,(H,31,36)(H2,28,30,32,33)/t13?,15-,17-,20-,23?/m0/s1.
What are the key properties of [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 516.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-3-[3-[[2-[(3,3-difluoroazetidin-1-yl)methyl]imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169142991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).