4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

C19H19ClN4O3 — CID 169327857

IUPAC4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCCCN1c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-10-4-2-3-7-23(10)14-6-5-11(8-13(14)20)24-15(25)9-12-16(17(24)21)19(27)22-18(12)26/h5-6,8-10H,2-4,7,21H2,1H3,(H,22,26,27)
InChIKeyKFCHLDQESDDZRR-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.34
Rot. Bonds2

About 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione

4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169327857) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169327857
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCC1CCCCN1c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Cl
InChIInChI=1S/C19H19ClN4O3/c1-10-4-2-3-7-23(10)14-6-5-11(8-13(14)20)24-15(25)9-12-16(17(24)21)19(27)22-18(12)26/h5-6,8-10H,2-4,7,21H2,1H3,(H,22,26,27)
InChIKeyKFCHLDQESDDZRR-UHFFFAOYSA-N
XLogP2.34
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327789
4-amino-5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328915
4-amino-5-(3-fluoro-4-piperidin-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329516
4-amino-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328528
3-chloro-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40787638
[5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-methylphenyl]boronic acid
CID 169330068
1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-3-carboxylic acid
CID 169330823
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
tert-butyl N-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-chlorophenyl]carbamate
CID 169330074
3-chloro-N-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 91677014
5-chloro-2-[(2S)-2-methylpiperidin-1-yl]aniline
CID 40788179
(2R)-1-(4-bromo-2-chlorophenyl)-2-methylpiperidine
CID 97103063

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169327857) is 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is CC1CCCCN1c1ccc(-n2c(N)c3c(cc2=O)C(=O)NC3=O)cc1Cl.
What is the InChIKey of 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is KFCHLDQESDDZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-10-4-2-3-7-23(10)14-6-5-11(8-13(14)20)24-15(25)9-12-16(17(24)21)19(27)22-18(12)26/h5-6,8-10H,2-4,7,21H2,1H3,(H,22,26,27).
What are the key properties of 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 386.84 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169327857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).