2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine

C25H31FN4 — CID 92615686

IUPAC2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
SMILESCc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C25H31FN4/c1-17(2)30-19(4)23(18(3)28-30)16-29-13-5-6-25(29)24-12-9-21(15-27-24)14-20-7-10-22(26)11-8-20/h7-12,15,17,25H,5-6,13-14,16H2,1-4H3/t25-/m1/s1
InChIKeyYMOPDNMPOPXVMT-RUZDIDTESA-N
MW406.55 g/mol
LogP5.54
Rot. Bonds6

About 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine

2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine (PubChem CID 92615686) has the molecular formula C25H31FN4 and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
PubChem CID92615686
Molecular FormulaC25H31FN4
Molecular Weight406.55 g/mol
Exact Mass406.25
IUPAC Name2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine
SMILESCc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1
InChIInChI=1S/C25H31FN4/c1-17(2)30-19(4)23(18(3)28-30)16-29-13-5-6-25(29)24-12-9-21(15-27-24)14-20-7-10-22(26)11-8-20/h7-12,15,17,25H,5-6,13-14,16H2,1-4H3/t25-/m1/s1
InChIKeyYMOPDNMPOPXVMT-RUZDIDTESA-N
XLogP5.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine?
The IUPAC name of 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine (CID 92615686) is 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine?
The canonical SMILES for 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine is Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1.
What is the InChIKey of 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine?
The InChIKey is YMOPDNMPOPXVMT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31FN4/c1-17(2)30-19(4)23(18(3)28-30)16-29-13-5-6-25(29)24-12-9-21(15-27-24)14-20-7-10-22(26)11-8-20/h7-12,15,17,25H,5-6,13-14,16H2,1-4H3/t25-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine?
2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine has a molecular weight of 406.55 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-[(4-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 92615686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).