3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

C22H26FN5O — CID 92621480

IUPAC3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1
InChIInChI=1S/C22H26FN5O/c1-24-22-16(6-4-11-25-22)15-28-12-5-8-20(28)19-14-17(26-27-19)10-13-29-21-9-3-2-7-18(21)23/h2-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,1H3,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyWNRAHFANEZEJQO-HXUWFJFHSA-N
MW395.48 g/mol
LogP3.94
Rot. Bonds8

About 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 92621480) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID92621480
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1
InChIInChI=1S/C22H26FN5O/c1-24-22-16(6-4-11-25-22)15-28-12-5-8-20(28)19-14-17(26-27-19)10-13-29-21-9-3-2-7-18(21)23/h2-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,1H3,(H,24,25)(H,26,27)/t20-/m1/s1
InChIKeyWNRAHFANEZEJQO-HXUWFJFHSA-N
XLogP3.94
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 92621480) is 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1.
What is the InChIKey of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is WNRAHFANEZEJQO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-24-22-16(6-4-11-25-22)15-28-12-5-8-20(28)19-14-17(26-27-19)10-13-29-21-9-3-2-7-18(21)23/h2-4,6-7,9,11,14,20H,5,8,10,12-13,15H2,1H3,(H,24,25)(H,26,27)/t20-/m1/s1.
What are the key properties of 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine?
3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 395.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 92621480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).