tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate

C18H25FN6O2 — CID 124996322

IUPACtert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(Nc2ncc(F)c(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1
InChIInChI=1S/C18H25FN6O2/c1-11-7-15(24-23-11)22-16-20-9-13(19)14(21-16)8-12-5-6-25(10-12)17(26)27-18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyQSCUDGFARIGGJZ-GFCCVEGCSA-N
MW376.44 g/mol
LogP3.19
Rot. Bonds4

About tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 124996322) has the molecular formula C18H25FN6O2 and a molecular weight of 376.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID124996322
Molecular FormulaC18H25FN6O2
Molecular Weight376.44 g/mol
Exact Mass376.20
IUPAC Nametert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
SMILESCc1cc(Nc2ncc(F)c(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1
InChIInChI=1S/C18H25FN6O2/c1-11-7-15(24-23-11)22-16-20-9-13(19)14(21-16)8-12-5-6-25(10-12)17(26)27-18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H2,20,21,22,23,24)/t12-/m1/s1
InChIKeyQSCUDGFARIGGJZ-GFCCVEGCSA-N
XLogP3.19
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 124996323
tert-butyl (3S)-3-[[5-fluoro-2-[(5-fluoro-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 124978162
tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 135135282
tert-butyl (3S)-3-[[(5-fluoropyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97171184
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 3-[(3,5-difluoro-2-pyridinyl)methyl]piperidine-1-carboxylate
CID 135135166
tert-butyl (3R)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176279
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419
tert-butyl 3-[(5,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 159206233
tert-butyl 4-[4-[[1-(3-chloro-2-fluorobenzoyl)piperidin-4-yl]methyl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazine-1-carboxylate
CID 110096641
tert-butyl (3S)-3-[[(3-fluoro-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99857975
tert-butyl (3R)-3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidine-1-carboxylate
CID 97176740

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate (CID 124996322) is tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate is Cc1cc(Nc2ncc(F)c(C[C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)n[nH]1.
What is the InChIKey of tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is QSCUDGFARIGGJZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25FN6O2/c1-11-7-15(24-23-11)22-16-20-9-13(19)14(21-16)8-12-5-6-25(10-12)17(26)27-18(2,3)4/h7,9,12H,5-6,8,10H2,1-4H3,(H2,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 376.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[5-fluoro-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124996322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).