4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

C24H23N3O3 — CID 134806764

IUPAC4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)c2CN1c1ccccc1
InChIInChI=1S/C24H23N3O3/c28-16-17-5-4-6-18(13-17)23-21-15-27(19-7-2-1-3-8-19)24(29)20(21)14-22(25-23)26-9-11-30-12-10-26/h1-8,13-14,28H,9-12,15-16H2
InChIKeyYHXCXYFGFRADQC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.24
Rot. Bonds4

About 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134806764) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134806764
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESO=C1c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)c2CN1c1ccccc1
InChIInChI=1S/C24H23N3O3/c28-16-17-5-4-6-18(13-17)23-21-15-27(19-7-2-1-3-8-19)24(29)20(21)14-22(25-23)26-9-11-30-12-10-26/h1-8,13-14,28H,9-12,15-16H2
InChIKeyYHXCXYFGFRADQC-UHFFFAOYSA-N
XLogP3.24
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

[3-(2-morpholin-4-yl-7-pyridin-3-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methanol
CID 59244893
[3-(1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]methanol
CID 51352898
[3-[4-(3-amino-4-fluorophenyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]methanol
CID 69247298
3-(2-morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24890625
4-(2-methylphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134805426
3-morpholin-4-yl-5-phenyl-1H-pyridazin-6-one
CID 11680448
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
[2-(1,4-oxazepan-4-yl)quinolin-4-yl]methanol
CID 62973118
6-morpholin-4-yl-2-phenoxy-4-phenylpyridine-3-carbonitrile
CID 154367571
4-(2-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 134810191
2-amino-6-(6-morpholin-4-yl-3-pyridinyl)-3-phenylquinazolin-4-one
CID 123765235
4-(7-methoxy-4-phenylquinolin-2-yl)morpholine;oxalic acid
CID 2998399

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134806764) is 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is O=C1c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)c2CN1c1ccccc1.
What is the InChIKey of 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is YHXCXYFGFRADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-16-17-5-4-6-18(13-17)23-21-15-27(19-7-2-1-3-8-19)24(29)20(21)14-22(25-23)26-9-11-30-12-10-26/h1-8,13-14,28H,9-12,15-16H2.
What are the key properties of 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 401.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenyl]-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134806764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).