N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

C20H22FN3O3 — CID 148644692

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCOCCOC1=NCc2cc(CC(=O)N[C@H](C)c3ccc(F)cc3)ncc21
InChIInChI=1S/C20H22FN3O3/c1-13(14-3-5-16(21)6-4-14)24-19(25)10-17-9-15-11-23-20(18(15)12-22-17)27-8-7-26-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyNKSOLCFPTZCBRL-CYBMUJFWSA-N
MW371.41 g/mol
LogP2.56
Rot. Bonds7

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (PubChem CID 148644692) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
PubChem CID148644692
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
SMILESCOCCOC1=NCc2cc(CC(=O)N[C@H](C)c3ccc(F)cc3)ncc21
InChIInChI=1S/C20H22FN3O3/c1-13(14-3-5-16(21)6-4-14)24-19(25)10-17-9-15-11-23-20(18(15)12-22-17)27-8-7-26-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyNKSOLCFPTZCBRL-CYBMUJFWSA-N
XLogP2.56
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 158141525
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylimino-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 157258389
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide
CID 160965766
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(3-methylbenzotriazol-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 157144473
2-[3-(3-hydroxy-3-methylazetidin-1-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 159778202
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 158888196
2-[3-[(2S)-2-methylazetidin-1-yl]-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 146878312
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
(4S)-4-(4-chlorophenyl)-1-(3-methoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)pentan-2-one
CID 153116290
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide (CID 148644692) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is COCCOC1=NCc2cc(CC(=O)N[C@H](C)c3ccc(F)cc3)ncc21.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
The InChIKey is NKSOLCFPTZCBRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-13(14-3-5-16(21)6-4-14)24-19(25)10-17-9-15-11-23-20(18(15)12-22-17)27-8-7-26-2/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,24,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide has a molecular weight of 371.41 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 148644692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).