2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C21H27N5O2 — CID 56869926

IUPAC2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNC1CCNCC1)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H27N5O2/c1-28-20-15(13-24-17-5-9-22-10-6-17)12-18-19(25-20)14-26(21(18)27)11-7-16-4-2-3-8-23-16/h2-4,8,12,17,22,24H,5-7,9-11,13-14H2,1H3
InChIKeyQQDKPCVLFPSKMQ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.53
Rot. Bonds7

About 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 56869926) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID56869926
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1nc2c(cc1CNC1CCNCC1)C(=O)N(CCc1ccccn1)C2
InChIInChI=1S/C21H27N5O2/c1-28-20-15(13-24-17-5-9-22-10-6-17)12-18-19(25-20)14-26(21(18)27)11-7-16-4-2-3-8-23-16/h2-4,8,12,17,22,24H,5-7,9-11,13-14H2,1H3
InChIKeyQQDKPCVLFPSKMQ-UHFFFAOYSA-N
XLogP1.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56873233
(2S)-N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]oxolane-2-carboxamide
CID 95551848
3-[[(5,6-dimethylpyrimidin-4-yl)amino]methyl]-2-methoxy-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56866762
N-[[2-methoxy-5-oxo-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-3-yl]methyl]furan-3-carboxamide
CID 56874067
6-ethyl-2-methoxy-3-[[(1-propylpiperidin-4-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56871244
(4S)-4-(3-methoxyphenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7112342
1-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidin-2-one
CID 66000463
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
CID 56865762
6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56862358
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
4-(4-fluorophenyl)-1-methyl-6-(2-pyridin-2-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 4618748

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 56869926) is 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1nc2c(cc1CNC1CCNCC1)C(=O)N(CCc1ccccn1)C2.
What is the InChIKey of 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QQDKPCVLFPSKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-28-20-15(13-24-17-5-9-22-10-6-17)12-18-19(25-20)14-26(21(18)27)11-7-16-4-2-3-8-23-16/h2-4,8,12,17,22,24H,5-7,9-11,13-14H2,1H3.
What are the key properties of 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 381.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(piperidin-4-ylamino)methyl]-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 56869926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).