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

C19H16ClN5O4 — CID 169329435

IUPAC4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc(COc2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2Cl)n(C)n1
InChIInChI=1S/C19H16ClN5O4/c1-9-5-11(24(2)23-9)8-29-14-4-3-10(6-13(14)20)25-15(26)7-12-16(17(25)21)19(28)22-18(12)27/h3-7H,8,21H2,1-2H3,(H,22,27,28)
InChIKeyQZUDSFUDCRVJBN-UHFFFAOYSA-N
MW413.82 g/mol
LogP1.58
Rot. Bonds4

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

4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (PubChem CID 169329435) has the molecular formula C19H16ClN5O4 and a molecular weight of 413.82 g/mol. Its IUPAC name is 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.

Molecular Properties

Compound Name4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
PubChem CID169329435
Molecular FormulaC19H16ClN5O4
Molecular Weight413.82 g/mol
Exact Mass413.09
IUPAC Name4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
SMILESCc1cc(COc2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2Cl)n(C)n1
InChIInChI=1S/C19H16ClN5O4/c1-9-5-11(24(2)23-9)8-29-14-4-3-10(6-13(14)20)25-15(26)7-12-16(17(25)21)19(28)22-18(12)27/h3-7H,8,21H2,1-2H3,(H,22,27,28)
InChIKeyQZUDSFUDCRVJBN-UHFFFAOYSA-N
XLogP1.58
TPSA121.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328528
4-amino-5-[3-chloro-4-(4-methoxyphenoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329813
4-amino-5-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327206
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-[4-[(4-chlorophenyl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329403
4-amino-5-(3-chloro-5-methylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169326967
4-amino-5-[4-(2-methylpropoxy)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327270
4-amino-5-(4-ethoxy-3-pyrrol-1-ylphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328403
4-amino-5-(2,3-dimethylquinoxalin-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169330627
4-amino-5-(3-chloro-4,5-difluorophenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328079
4-amino-5-(1-methylindol-6-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328611
4-amino-5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169329749

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The IUPAC name of 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione (CID 169329435) is 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione.
What is the SMILES notation for 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The canonical SMILES for 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is Cc1cc(COc2ccc(-n3c(N)c4c(cc3=O)C(=O)NC4=O)cc2Cl)n(C)n1.
What is the InChIKey of 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
The InChIKey is QZUDSFUDCRVJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O4/c1-9-5-11(24(2)23-9)8-29-14-4-3-10(6-13(14)20)25-15(26)7-12-16(17(25)21)19(28)22-18(12)27/h3-7H,8,21H2,1-2H3,(H,22,27,28).
What are the key properties of 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione?
4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione has a molecular weight of 413.82 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-chloro-4-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione is sourced from PubChem (CID 169329435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).