tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate

C25H33FN4O3 — CID 130214510

IUPACtert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)C1)C2
InChIInChI=1S/C25H33FN4O3/c1-17-21-10-12-28(16-22(21)30(27-17)15-18-5-7-20(26)8-6-18)23(31)13-19-9-11-29(14-19)24(32)33-25(2,3)4/h5-8,19H,9-16H2,1-4H3
InChIKeyVULDEAVHVVSMMK-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.91
Rot. Bonds4

About tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate

tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate (PubChem CID 130214510) has the molecular formula C25H33FN4O3 and a molecular weight of 456.56 g/mol. Its IUPAC name is tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate
PubChem CID130214510
Molecular FormulaC25H33FN4O3
Molecular Weight456.56 g/mol
Exact Mass456.25
IUPAC Nametert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)C1)C2
InChIInChI=1S/C25H33FN4O3/c1-17-21-10-12-28(16-22(21)30(27-17)15-18-5-7-20(26)8-6-18)23(31)13-19-9-11-29(14-19)24(32)33-25(2,3)4/h5-8,19H,9-16H2,1-4H3
InChIKeyVULDEAVHVVSMMK-UHFFFAOYSA-N
XLogP3.91
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate (CID 130214510) is tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)C1)C2.
What is the InChIKey of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate?
The InChIKey is VULDEAVHVVSMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O3/c1-17-21-10-12-28(16-22(21)30(27-17)15-18-5-7-20(26)8-6-18)23(31)13-19-9-11-29(14-19)24(32)33-25(2,3)4/h5-8,19H,9-16H2,1-4H3.
What are the key properties of tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate has a molecular weight of 456.56 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 130214510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).