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

C19H16FN5O — CID 147315737

IUPAC2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cc(F)cnc2C1
InChIInChI=1S/C19H16FN5O/c20-14-6-13-10-25(11-18(13)23-9-14)19(26)7-17-15(21)3-4-16(24-17)12-2-1-5-22-8-12/h1-6,8-9H,7,10-11,21H2
InChIKeyCYVFKPYFWJGTKJ-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.34
Rot. Bonds3

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

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (PubChem CID 147315737) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
PubChem CID147315737
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESNc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cc(F)cnc2C1
InChIInChI=1S/C19H16FN5O/c20-14-6-13-10-25(11-18(13)23-9-14)19(26)7-17-15(21)3-4-16(24-17)12-2-1-5-22-8-12/h1-6,8-9H,7,10-11,21H2
InChIKeyCYVFKPYFWJGTKJ-UHFFFAOYSA-N
XLogP2.34
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280199
Pyrrolopyridine, 10
CID 16719968
Pyrrolopyridine, 11
CID 16719970
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-2-(1-oxo-3-(1-piperidinyl)propyl)-1-(3-pyridinyl)-
CID 365605
N-[(1s)-2-Amino-1-Phenylethyl]-2-[(4s)-7-(2-Fluoro-4-Pyridinyl)-1-Oxo-1,2,3,4-Tetrahydropyrrolo[1,2-A]pyrazin-4-Yl]acetamide
CID 72696912
2-[3,5-bis(trifluoromethyl)-2-pyridinyl]-N-(4-fluorophenyl)-N-[3-(5-pyrrolidin-3-yl-2-pyridinyl)prop-2-ynyl]acetamide
CID 168273572

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (CID 147315737) is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The canonical SMILES for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is Nc1ccc(-c2cccnc2)nc1CC(=O)N1Cc2cc(F)cnc2C1.
What is the InChIKey of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The InChIKey is CYVFKPYFWJGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-14-6-13-10-25(11-18(13)23-9-14)19(26)7-17-15(21)3-4-16(24-17)12-2-1-5-22-8-12/h1-6,8-9H,7,10-11,21H2.
What are the key properties of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone has a molecular weight of 349.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 147315737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).