[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C20H21F4N7O3 — CID 169141820

IUPAC[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CO[C@H](c3cc(Nc4nccn5nc(CC(F)(F)F)cc45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C20H21F4N7O3/c1-19(2-3-19)27-18(32)34-13-9-33-16(15(13)21)11-7-14(29-28-11)26-17-12-6-10(8-20(22,23)24)30-31(12)5-4-25-17/h4-7,13,15-16H,2-3,8-9H2,1H3,(H,27,32)(H2,25,26,28,29)/t13-,15+,16-/m1/s1
InChIKeySTSKSOZIPWAKHW-VNQPRFMTSA-N
MW483.43 g/mol
LogP3.36
Rot. Bonds6

About [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141820) has the molecular formula C20H21F4N7O3 and a molecular weight of 483.43 g/mol. Its IUPAC name is [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141820
Molecular FormulaC20H21F4N7O3
Molecular Weight483.43 g/mol
Exact Mass483.16
IUPAC Name[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@@H]2CO[C@H](c3cc(Nc4nccn5nc(CC(F)(F)F)cc45)n[nH]3)[C@H]2F)CC1
InChIInChI=1S/C20H21F4N7O3/c1-19(2-3-19)27-18(32)34-13-9-33-16(15(13)21)11-7-14(29-28-11)26-17-12-6-10(8-20(22,23)24)30-31(12)5-4-25-17/h4-7,13,15-16H,2-3,8-9H2,1H3,(H,27,32)(H2,25,26,28,29)/t13-,15+,16-/m1/s1
InChIKeySTSKSOZIPWAKHW-VNQPRFMTSA-N
XLogP3.36
TPSA118.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate with MolForge

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Related Compounds

[(3R,4S,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142642
[(3R,4R,5R)-4-fluoro-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169143683
[(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
[(1R,2S,3R)-2-fluoro-3-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169143300
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142348
[(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
[(1S,2R,3S)-2-fluoro-3-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 169143365
[(1R,2S,4S)-2-fluoro-4-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 169142650
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693
[(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

Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141820) is [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@@H]2CO[C@H](c3cc(Nc4nccn5nc(CC(F)(F)F)cc45)n[nH]3)[C@H]2F)CC1.
What is the InChIKey of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is STSKSOZIPWAKHW-VNQPRFMTSA-N. The full InChI is InChI=1S/C20H21F4N7O3/c1-19(2-3-19)27-18(32)34-13-9-33-16(15(13)21)11-7-14(29-28-11)26-17-12-6-10(8-20(22,23)24)30-31(12)5-4-25-17/h4-7,13,15-16H,2-3,8-9H2,1H3,(H,27,32)(H2,25,26,28,29)/t13-,15+,16-/m1/s1.
What are the key properties of [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 483.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R)-4-fluoro-5-[3-[[2-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).