[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C24H30F3N7O4 — CID 164879959

IUPAC[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(COC(F)(F)F)cc45)n(C(C)(C)C)n3)C2)CC1
InChIInChI=1S/C24H30F3N7O4/c1-22(2,3)34-19(29-20-17-9-14(12-37-24(25,26)27)31-33(17)8-7-28-20)11-16(32-34)18-10-15(13-36-18)38-21(35)30-23(4)5-6-23/h7-9,11,15,18H,5-6,10,12-13H2,1-4H3,(H,28,29)(H,30,35)/t15-,18-/m1/s1
InChIKeyDXZQEAFWALQLBO-CRAIPNDOSA-N
MW537.54 g/mol
LogP4.57
Rot. Bonds7

About [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 164879959) has the molecular formula C24H30F3N7O4 and a molecular weight of 537.54 g/mol. Its IUPAC name is [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID164879959
Molecular FormulaC24H30F3N7O4
Molecular Weight537.54 g/mol
Exact Mass537.23
IUPAC Name[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(COC(F)(F)F)cc45)n(C(C)(C)C)n3)C2)CC1
InChIInChI=1S/C24H30F3N7O4/c1-22(2,3)34-19(29-20-17-9-14(12-37-24(25,26)27)31-33(17)8-7-28-20)11-16(32-34)18-10-15(13-36-18)38-21(35)30-23(4)5-6-23/h7-9,11,15,18H,5-6,10,12-13H2,1-4H3,(H,28,29)(H,30,35)/t15-,18-/m1/s1
InChIKeyDXZQEAFWALQLBO-CRAIPNDOSA-N
XLogP4.57
TPSA116.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

tert-butyl N-[2-[(2R)-1-[[(3aS,4S,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4,4-difluoropiperidin-2-yl]ethyl]carbamate
CID 130418624
[(2R,3R,4S,5S)-2-[(3,3-difluoro-8-methyl-1,8-diazaspiro[4.5]decan-1-yl)methyl]-5-[4-(2-methylpropanoylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-4-(2-methylpropanoyloxy)oxolan-3-yl] 2-methylpropanoate
CID 130419160
tert-butyl N-[2-[(2R)-1-[[(3aS,4S,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4,4-difluoropyrrolidin-2-yl]ethyl]carbamate
CID 149068218
tert-butyl N-[2-[(2R)-1-[[(2S,3R,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-(2-hydroxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl]-4,4-difluoropyrrolidin-2-yl]ethyl]carbamate
CID 156542927
[(3R,5R)-5-[3-[[2-(difluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879376
[(3S,5S)-5-[3-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879411
[(3R,5R)-5-[1-tert-butyl-5-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879624
[(3R,5R)-5-[1-tert-butyl-5-[[7-chloro-2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879635
[(3R,5R)-5-[3-[[2-(difluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879646
1,1-difluoro-2-methylcyclopropane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] carbamate
CID 164879825
[(3R,5R)-5-[3-[[2-(trifluoromethyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879842
ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate
CID 164879912

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 164879959) is [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(COC(F)(F)F)cc45)n(C(C)(C)C)n3)C2)CC1.
What is the InChIKey of [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is DXZQEAFWALQLBO-CRAIPNDOSA-N. The full InChI is InChI=1S/C24H30F3N7O4/c1-22(2,3)34-19(29-20-17-9-14(12-37-24(25,26)27)31-33(17)8-7-28-20)11-16(32-34)18-10-15(13-36-18)38-21(35)30-23(4)5-6-23/h7-9,11,15,18H,5-6,10,12-13H2,1-4H3,(H,28,29)(H,30,35)/t15-,18-/m1/s1.
What are the key properties of [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 537.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[1-tert-butyl-5-[[2-(trifluoromethoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]pyrazol-3-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 164879959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).