2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide

C20H23FN4O2 — CID 160965766

IUPAC2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21
InChIInChI=1S/C20H23FN4O2/c1-3-22-20-17-11-23-16(8-14(17)10-24-20)9-19(26)25-18(12-27-2)13-4-6-15(21)7-5-13/h4-8,11,18H,3,9-10,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m1/s1
InChIKeySXPGYYZHZOWBCL-GOSISDBHSA-N
MW370.43 g/mol
LogP2.14
Rot. Bonds7

About 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide

2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide (PubChem CID 160965766) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide.

Molecular Properties

Compound Name2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide
PubChem CID160965766
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide
SMILESCCNC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21
InChIInChI=1S/C20H23FN4O2/c1-3-22-20-17-11-23-16(8-14(17)10-24-20)9-19(26)25-18(12-27-2)13-4-6-15(21)7-5-13/h4-8,11,18H,3,9-10,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m1/s1
InChIKeySXPGYYZHZOWBCL-GOSISDBHSA-N
XLogP2.14
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(2-methoxyethoxy)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 148644692
(4S)-1-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-5-methoxy-4-phenylpentan-2-one
CID 160718753
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylimino-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 157258389
N-[(3-chloro-2-pyridinyl)methyl]-2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 157201911
N-[(1R)-1-phenylethyl]-2-[3-(pyridin-3-ylmethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 149017048
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[3-(3-methylbenzotriazol-5-yl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 157144473
(4S)-5-methoxy-1-[3-(oxan-4-ylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-4-phenylpentan-2-one
CID 162027089
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-6-yl]acetamide
CID 158777670
N-[(1R)-1-phenylethyl]-2-(3-phenylmethoxy-1H-pyrrolo[3,4-c]pyridin-6-yl)acetamide
CID 158141525
3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 91647036
methyl 3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
CID 71875296
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(5-phenyl-1,2-oxazol-3-yl)acetyl]amino]propanoate
CID 96504230

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide?
The IUPAC name of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide (CID 160965766) is 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide.
What is the SMILES notation for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide?
The canonical SMILES for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide is CCNC1=NCc2cc(CC(=O)N[C@H](COC)c3ccc(F)cc3)ncc21.
What is the InChIKey of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide?
The InChIKey is SXPGYYZHZOWBCL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-3-22-20-17-11-23-16(8-14(17)10-24-20)9-19(26)25-18(12-27-2)13-4-6-15(21)7-5-13/h4-8,11,18H,3,9-10,12H2,1-2H3,(H,22,24)(H,25,26)/t18-/m1/s1.
What are the key properties of 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide?
2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-1H-pyrrolo[3,4-c]pyridin-6-yl]-N-[(1S)-1-(4-fluorophenyl)-2-methoxyethyl]acetamide is sourced from PubChem (CID 160965766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).