2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

C26H28FN5O — CID 153073045

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCN1CCC(c2cc3c(cn2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1
InChIInChI=1S/C26H28FN5O/c1-31-10-8-18(9-11-31)24-12-19-15-32(16-20(19)14-29-24)26(33)13-25-22(28)6-7-23(30-25)17-2-4-21(27)5-3-17/h2-7,12,14,18H,8-11,13,15-16,28H2,1H3
InChIKeyVLSTWJGXUACQGV-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.76
Rot. Bonds4

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (PubChem CID 153073045) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
PubChem CID153073045
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
SMILESCN1CCC(c2cc3c(cn2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1
InChIInChI=1S/C26H28FN5O/c1-31-10-8-18(9-11-31)24-12-19-15-32(16-20(19)14-29-24)26(33)13-25-22(28)6-7-23(30-25)17-2-4-21(27)5-3-17/h2-7,12,14,18H,8-11,13,15-16,28H2,1H3
InChIKeyVLSTWJGXUACQGV-UHFFFAOYSA-N
XLogP3.76
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone with MolForge

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Related Compounds

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
2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
CID 73673026
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11387595
n-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(1-methyl-1h-indol-3-yl)-acetamide
CID 11603489
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-4-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 44479566
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-(5-oxopyrrolidin-3-yl)pyridin-3-yl]-N,2-dimethylpropanamide
CID 52932923
(3R,4S)-N-cyclopropyl-N-[[4-fluoro-1-(pyridin-3-ylmethyl)indol-3-yl]methyl]-4-(1-methyl-2-oxo-4-pyridinyl)piperidine-3-carboxamide
CID 56663528
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
(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

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone (CID 153073045) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is CN1CCC(c2cc3c(cn2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2N)C3)CC1.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
The InChIKey is VLSTWJGXUACQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c1-31-10-8-18(9-11-31)24-12-19-15-32(16-20(19)14-29-24)26(33)13-25-22(28)6-7-23(30-25)17-2-4-21(27)5-3-17/h2-7,12,14,18H,8-11,13,15-16,28H2,1H3.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone has a molecular weight of 445.54 g/mol, XLogP of 3.76, 4 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-[6-(1-methylpiperidin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone is sourced from PubChem (CID 153073045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).