[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H22F3N7O2 — CID 164880074

IUPAC[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nccn4nc(C(F)(F)F)cc34)n[nH]2)C1
InChIInChI=1S/C19H22F3N7O2/c1-10(2)24-18(30)31-12-4-3-11(7-12)13-8-16(27-26-13)25-17-14-9-15(19(20,21)22)28-29(14)6-5-23-17/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,30)(H2,23,25,26,27)/t11-,12+/m1/s1
InChIKeyBYWQVTUPUBPUII-NEPJUHHUSA-N
MW437.43 g/mol
LogP3.99
Rot. Bonds5

About [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 164880074) has the molecular formula C19H22F3N7O2 and a molecular weight of 437.43 g/mol. Its IUPAC name is [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID164880074
Molecular FormulaC19H22F3N7O2
Molecular Weight437.43 g/mol
Exact Mass437.18
IUPAC Name[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nccn4nc(C(F)(F)F)cc34)n[nH]2)C1
InChIInChI=1S/C19H22F3N7O2/c1-10(2)24-18(30)31-12-4-3-11(7-12)13-8-16(27-26-13)25-17-14-9-15(19(20,21)22)28-29(14)6-5-23-17/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,30)(H2,23,25,26,27)/t11-,12+/m1/s1
InChIKeyBYWQVTUPUBPUII-NEPJUHHUSA-N
XLogP3.99
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[3-[3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293698
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 167293864
[3-[3-[[2-[(dimethylamino)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293924
[(1S,2R,3S)-3-[3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1H-pyrazol-5-yl]-2-fluorocyclopentyl] N-propan-2-ylcarbamate
CID 169141394
[3-[3-[[2-[(4-methylpiperazin-1-yl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293707
[(1R,3S)-3-[3-[[2-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293718
[3-[3-[[2-[(methylsulfinimidoyl)methyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 167293814
[(1R,3S)-3-[3-[[2-[(1S)-1-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-butan-2-yl]carbamate
CID 167293874
[(1R,3S)-3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 167293866
[(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,3S)-3-[3-[[2-(1-aminoethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293760
[3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclopropyl)carbamate
CID 167293693

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 164880074) is [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@H]1CC[C@@H](c2cc(Nc3nccn4nc(C(F)(F)F)cc34)n[nH]2)C1.
What is the InChIKey of [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is BYWQVTUPUBPUII-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H22F3N7O2/c1-10(2)24-18(30)31-12-4-3-11(7-12)13-8-16(27-26-13)25-17-14-9-15(19(20,21)22)28-29(14)6-5-23-17/h5-6,8-12H,3-4,7H2,1-2H3,(H,24,30)(H2,23,25,26,27)/t11-,12+/m1/s1.
What are the key properties of [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 437.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[3-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 164880074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).