[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

C22H20F7N7O4 — CID 169143523

IUPAC[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(C(F)(F)F)cn4nc(COC(F)(F)F)cc34)n[nH]2)[C@H]1F
InChIInChI=1S/C22H20F7N7O4/c23-16-13(40-19(37)32-20-3-9(4-20)5-20)8-38-17(16)11-2-15(34-33-11)31-18-12-1-10(7-39-22(27,28)29)35-36(12)6-14(30-18)21(24,25)26/h1-2,6,9,13,16-17H,3-5,7-8H2,(H,32,37)(H2,30,31,33,34)/t9?,13-,16-,17-,20?/m0/s1
InChIKeyVSMRUZSFYRTGDS-RIFXKMROSA-N
MW579.43 g/mol
LogP4.31
Rot. Bonds7

About [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate

[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (PubChem CID 169143523) has the molecular formula C22H20F7N7O4 and a molecular weight of 579.43 g/mol. Its IUPAC name is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.

Molecular Properties

Compound Name[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
PubChem CID169143523
Molecular FormulaC22H20F7N7O4
Molecular Weight579.43 g/mol
Exact Mass579.15
IUPAC Name[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
SMILESO=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(C(F)(F)F)cn4nc(COC(F)(F)F)cc34)n[nH]2)[C@H]1F
InChIInChI=1S/C22H20F7N7O4/c23-16-13(40-19(37)32-20-3-9(4-20)5-20)8-38-17(16)11-2-15(34-33-11)31-18-12-1-10(7-39-22(27,28)29)35-36(12)6-14(30-18)21(24,25)26/h1-2,6,9,13,16-17H,3-5,7-8H2,(H,32,37)(H2,30,31,33,34)/t9?,13-,16-,17-,20?/m0/s1
InChIKeyVSMRUZSFYRTGDS-RIFXKMROSA-N
XLogP4.31
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.43
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] 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

[(3R,4R,5R)-4-fluoro-5-[3-[[6-methyl-2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[2.2.0]hexanyl)carbamate
CID 169143627
[(3R,4S,5R)-5-[3-[[6-cyano-2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142753
[(3R,4S,5R)-5-[3-[[6-chloro-2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-propan-2-ylcarbamate
CID 169141530
[(3R,4S,5R)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-8-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169140859
[(3R,4R,5R)-4-fluoro-5-[3-[[8-methyl-2-(trifluoromethoxymethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142490
[(3S,4S,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 169143430
[(3S,4R,5S)-4-fluoro-5-[3-[[2-(methoxymethyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142321
[(3S,4R,5S)-5-[3-[[6-cyclopropyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169141529
[(3S,4R,5S)-5-[3-[[8-cyano-2-(trifluoromethoxymethyl)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 169143648
[(3S,4S,5S)-5-[3-[[2-chloro-6-(3-cyanophenyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 170112021
[(3S,4S,5S)-5-[3-[[2-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-4-fluorooxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169142917
[(1R,2R,3R)-3-[3-[[6-chloro-2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169141142

Frequently Asked Questions

What is the IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The IUPAC name of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate (CID 169143523) is [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate.
What is the SMILES notation for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The canonical SMILES for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is O=C(NC12CC(C1)C2)O[C@H]1CO[C@@H](c2cc(Nc3nc(C(F)(F)F)cn4nc(COC(F)(F)F)cc34)n[nH]2)[C@H]1F.
What is the InChIKey of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
The InChIKey is VSMRUZSFYRTGDS-RIFXKMROSA-N. The full InChI is InChI=1S/C22H20F7N7O4/c23-16-13(40-19(37)32-20-3-9(4-20)5-20)8-38-17(16)11-2-15(34-33-11)31-18-12-1-10(7-39-22(27,28)29)35-36(12)6-14(30-18)21(24,25)26/h1-2,6,9,13,16-17H,3-5,7-8H2,(H,32,37)(H2,30,31,33,34)/t9?,13-,16-,17-,20?/m0/s1.
What are the key properties of [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate?
[(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate has a molecular weight of 579.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R,5S)-4-fluoro-5-[3-[[2-(trifluoromethoxymethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate is sourced from PubChem (CID 169143523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).