2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

C23H24FN5O — CID 152813185

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCN(C)Cc1cnc2c(c1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2
InChIInChI=1S/C23H24FN5O/c1-28(2)12-15-9-17-13-29(14-22(17)26-11-15)23(30)10-21-19(25)7-8-20(27-21)16-3-5-18(24)6-4-16/h3-9,11H,10,12-14,25H2,1-2H3
InChIKeySRTMDLYOLWJKEW-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.01
Rot. Bonds5

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (PubChem CID 152813185) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
PubChem CID152813185
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
SMILESCN(C)Cc1cnc2c(c1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2
InChIInChI=1S/C23H24FN5O/c1-28(2)12-15-9-17-13-29(14-22(17)26-11-15)23(30)10-21-19(25)7-8-20(27-21)16-3-5-18(24)6-4-16/h3-9,11H,10,12-14,25H2,1-2H3
InChIKeySRTMDLYOLWJKEW-UHFFFAOYSA-N
XLogP3.01
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone with MolForge

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Related Compounds

1-(1-(2-(2-Fluorophenyl)ethyl)-4-piperidinyl)-N-methyl-1H-indole-6-acetamide
CID 9908587
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2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
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CID 9943465
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CID 10172738
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n-(2-Aminophenyl)-4-{5-[(4-ethylpiperazin-1-yl)methyl]-3-fluoropyridin-2-yl}benzamide
CID 11683474
Pyrrolopyridine, 9
CID 16719862
Pyrrolopyridine, 24
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CID 23585102

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone (CID 152813185) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is CN(C)Cc1cnc2c(c1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
The InChIKey is SRTMDLYOLWJKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-28(2)12-15-9-17-13-29(14-22(17)26-11-15)23(30)10-21-19(25)7-8-20(27-21)16-3-5-18(24)6-4-16/h3-9,11H,10,12-14,25H2,1-2H3.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone has a molecular weight of 405.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[3-[(dimethylamino)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone is sourced from PubChem (CID 152813185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).