1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

C21H26N4O2 — CID 159016860

IUPAC1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCOC1CCCN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C21H26N4O2/c1-14(2)27-20-10-18-16(11-23-20)12-24-21(18)15-6-7-22-19(9-15)25-8-4-5-17(13-25)26-3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3
InChIKeyQPCVLIJYGBODJL-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine

1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (PubChem CID 159016860) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
PubChem CID159016860
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
SMILESCOC1CCCN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ccn2)C1
InChIInChI=1S/C21H26N4O2/c1-14(2)27-20-10-18-16(11-23-20)12-24-21(18)15-6-7-22-19(9-15)25-8-4-5-17(13-25)26-3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3
InChIKeyQPCVLIJYGBODJL-UHFFFAOYSA-N
XLogP3.23
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

8-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-3-propan-2-yloxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraene
CID 123724651
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 160734458
2-cyclopropyl-5-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 157479162
2,2,3,3,5,5,6,6-octadeuterio-4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine
CID 149423525
2-[(3R)-3-methoxypiperidin-1-yl]pyridin-4-amine
CID 129413992
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
(2S,6R)-2,6-dimethyl-4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]morpholine
CID 158298103
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
N-ethyl-1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]ethanamine
CID 102959126
1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine (CID 159016860) is 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is COC1CCCN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ccn2)C1.
What is the InChIKey of 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
The InChIKey is QPCVLIJYGBODJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)27-20-10-18-16(11-23-20)12-24-21(18)15-6-7-22-19(9-15)25-8-4-5-17(13-25)26-3/h6-7,9-11,14,17H,4-5,8,12-13H2,1-3H3.
What are the key properties of 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine?
1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 366.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 159016860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).