[(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

C23H29F2N7O3 — CID 164879624

IUPAC[(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
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n(C(C)(C)C)n3)C2)CC1
InChIInChI=1S/C23H29F2N7O3/c1-22(2,3)32-18(27-20-16-10-15(19(24)25)29-31(16)8-7-26-20)11-14(30-32)17-9-13(12-34-17)35-21(33)28-23(4)5-6-23/h7-8,10-11,13,17,19H,5-6,9,12H2,1-4H3,(H,26,27)(H,28,33)/t13-,17-/m1/s1
InChIKeyCQCUSNWSUHESQY-CXAGYDPISA-N
MW489.53 g/mol
LogP4.47
Rot. Bonds6

About [(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

[(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 (PubChem CID 164879624) has the molecular formula C23H29F2N7O3 and a molecular weight of 489.53 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID164879624
Molecular FormulaC23H29F2N7O3
Molecular Weight489.53 g/mol
Exact Mass489.23
IUPAC Name[(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
SMILESCC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n(C(C)(C)C)n3)C2)CC1
InChIInChI=1S/C23H29F2N7O3/c1-22(2,3)32-18(27-20-16-10-15(19(24)25)29-31(16)8-7-26-20)11-14(30-32)17-9-13(12-34-17)35-21(33)28-23(4)5-6-23/h7-8,10-11,13,17,19H,5-6,9,12H2,1-4H3,(H,26,27)(H,28,33)/t13-,17-/m1/s1
InChIKeyCQCUSNWSUHESQY-CXAGYDPISA-N
XLogP4.47
TPSA107.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC1(NC(=O)O[C@H]2CO[C@@H](c3cc(Nc4nccn5nc(C(F)F)cc45)n(C(C)(C)C)n3)C2)CC1.
What is the InChIKey of [(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?
The InChIKey is CQCUSNWSUHESQY-CXAGYDPISA-N. The full InChI is InChI=1S/C23H29F2N7O3/c1-22(2,3)32-18(27-20-16-10-15(19(24)25)29-31(16)8-7-26-20)11-14(30-32)17-9-13(12-34-17)35-21(33)28-23(4)5-6-23/h7-8,10-11,13,17,19H,5-6,9,12H2,1-4H3,(H,26,27)(H,28,33)/t13-,17-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 489.53 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 164879624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).