8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one

C26H28FN5O2 — CID 146759853

IUPAC8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
SMILESCc1cc(F)c(Nc2ccnc3c2C(=O)Cc2cc(CN4CCC[C@@H](N)C4)ccc2N3)cc1O
InChIInChI=1S/C26H28FN5O2/c1-15-9-19(27)22(12-23(15)33)30-21-6-7-29-26-25(21)24(34)11-17-10-16(4-5-20(17)31-26)13-32-8-2-3-18(28)14-32/h4-7,9-10,12,18,33H,2-3,8,11,13-14,28H2,1H3,(H2,29,30,31)/t18-/m1/s1
InChIKeyRPFADYDJBZOEMP-GOSISDBHSA-N
MW461.54 g/mol
LogP4.38
Rot. Bonds4

About 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one

8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one (PubChem CID 146759853) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one.

Molecular Properties

Compound Name8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
PubChem CID146759853
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one
SMILESCc1cc(F)c(Nc2ccnc3c2C(=O)Cc2cc(CN4CCC[C@@H](N)C4)ccc2N3)cc1O
InChIInChI=1S/C26H28FN5O2/c1-15-9-19(27)22(12-23(15)33)30-21-6-7-29-26-25(21)24(34)11-17-10-16(4-5-20(17)31-26)13-32-8-2-3-18(28)14-32/h4-7,9-10,12,18,33H,2-3,8,11,13-14,28H2,1H3,(H2,29,30,31)/t18-/m1/s1
InChIKeyRPFADYDJBZOEMP-GOSISDBHSA-N
XLogP4.38
TPSA103.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The IUPAC name of 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one (CID 146759853) is 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one.
What is the SMILES notation for 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The canonical SMILES for 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one is Cc1cc(F)c(Nc2ccnc3c2C(=O)Cc2cc(CN4CCC[C@@H](N)C4)ccc2N3)cc1O.
What is the InChIKey of 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
The InChIKey is RPFADYDJBZOEMP-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-15-9-19(27)22(12-23(15)33)30-21-6-7-29-26-25(21)24(34)11-17-10-16(4-5-20(17)31-26)13-32-8-2-3-18(28)14-32/h4-7,9-10,12,18,33H,2-3,8,11,13-14,28H2,1H3,(H2,29,30,31)/t18-/m1/s1.
What are the key properties of 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one?
8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one has a molecular weight of 461.54 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-(2-fluoro-5-hydroxy-4-methylanilino)-6,11-dihydropyrido[2,3-b][1]benzazepin-5-one is sourced from PubChem (CID 146759853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).