(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol

C18H23FN4O2 — CID 129454274

IUPAC(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol
SMILESO[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2cnccn2)C1
InChIInChI=1S/C18H23FN4O2/c19-6-10-25-16-3-1-15(2-4-16)11-21-13-18(24)5-9-23(14-18)17-12-20-7-8-22-17/h1-4,7-8,12,21,24H,5-6,9-11,13-14H2/t18-/m1/s1
InChIKeyDHMWDEQHKKWUGK-GOSISDBHSA-N
MW346.41 g/mol
LogP1.56
Rot. Bonds8

About (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol

(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol (PubChem CID 129454274) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol
PubChem CID129454274
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol
SMILESO[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2cnccn2)C1
InChIInChI=1S/C18H23FN4O2/c19-6-10-25-16-3-1-15(2-4-16)11-21-13-18(24)5-9-23(14-18)17-12-20-7-8-22-17/h1-4,7-8,12,21,24H,5-6,9-11,13-14H2/t18-/m1/s1
InChIKeyDHMWDEQHKKWUGK-GOSISDBHSA-N
XLogP1.56
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129459701
1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129456351
3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132777867
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[4-(3-hydroxypropoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132778278
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
(3R)-3-[[[4-(2-ethoxyethoxy)phenyl]methylamino]methyl]-1-pyrimidin-2-ylpiperidin-3-ol
CID 129458283
(3S)-3-[[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylamino]methyl]-1-pyrimidin-2-ylpyrrolidin-3-ol
CID 129459088
(3R)-3-[[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methylamino]methyl]-1-[6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 129456919
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
CID 111114650
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 124999254

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol (CID 129454274) is (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol is O[C@@]1(CNCc2ccc(OCCF)cc2)CCN(c2cnccn2)C1.
What is the InChIKey of (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol?
The InChIKey is DHMWDEQHKKWUGK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN4O2/c19-6-10-25-16-3-1-15(2-4-16)11-21-13-18(24)5-9-23(14-18)17-12-20-7-8-22-17/h1-4,7-8,12,21,24H,5-6,9-11,13-14H2/t18-/m1/s1.
What are the key properties of (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol?
(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol has a molecular weight of 346.41 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 129454274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).