3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

C23H29N3O3 — CID 56880516

IUPAC3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CN1CCOC(Cc3ccccc3)C1)C(=O)N(C(C)C)C2
InChIInChI=1S/C23H29N3O3/c1-16(2)26-15-21-20(23(26)27)12-18(22(24-21)28-3)13-25-9-10-29-19(14-25)11-17-7-5-4-6-8-17/h4-8,12,16,19H,9-11,13-15H2,1-3H3
InChIKeyGCPPHWBUOITRKC-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.90
Rot. Bonds6

About 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one

3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56880516) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56880516
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CN1CCOC(Cc3ccccc3)C1)C(=O)N(C(C)C)C2
InChIInChI=1S/C23H29N3O3/c1-16(2)26-15-21-20(23(26)27)12-18(22(24-21)28-3)13-25-9-10-29-19(14-25)11-17-7-5-4-6-8-17/h4-8,12,16,19H,9-11,13-15H2,1-3H3
InChIKeyGCPPHWBUOITRKC-UHFFFAOYSA-N
XLogP2.90
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(3S)-3-benzyl-5-oxopiperazin-1-yl]methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 137341207
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
2-[(2-benzylmorpholin-4-yl)methyl]-3-methylquinazolin-4-one
CID 122135267
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
2-[(3-methoxyphenyl)methyl]-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 56870012
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
(2S)-2-[(3-methoxyphenyl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95525046
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56880516) is 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CN1CCOC(Cc3ccccc3)C1)C(=O)N(C(C)C)C2.
What is the InChIKey of 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is GCPPHWBUOITRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)26-15-21-20(23(26)27)12-18(22(24-21)28-3)13-25-9-10-29-19(14-25)11-17-7-5-4-6-8-17/h4-8,12,16,19H,9-11,13-15H2,1-3H3.
What are the key properties of 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 395.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzylmorpholin-4-yl)methyl]-2-methoxy-6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56880516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).