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

C19H22N4O2 — CID 149423525

IUPAC2,2,3,3,5,5,6,6-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
SMILES[2H]C([2H])([2H])C([2H])(Oc1cc2c(cn1)CN=C2c1ccnc(N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1)C([2H])([2H])[2H]
InChIInChI=1S/C19H22N4O2/c1-13(2)25-18-10-16-15(11-21-18)12-22-19(16)14-3-4-20-17(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,5-8,12H2,1-2H3/i1D3,2D3,5D2,6D2,7D2,8D2,13D
InChIKeyYTQJRTCYSBINPC-NJZOIVFSSA-N
MW353.50 g/mol
LogP2.45
Rot. Bonds6

About 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

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 (PubChem CID 149423525) has the molecular formula C19H22N4O2 and a molecular weight of 353.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-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
PubChem CID149423525
Molecular FormulaC19H22N4O2
Molecular Weight353.50 g/mol
Exact Mass353.27
IUPAC Name2,2,3,3,5,5,6,6-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
SMILES[2H]C([2H])([2H])C([2H])(Oc1cc2c(cn1)CN=C2c1ccnc(N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1)C([2H])([2H])[2H]
InChIInChI=1S/C19H22N4O2/c1-13(2)25-18-10-16-15(11-21-18)12-22-19(16)14-3-4-20-17(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,5-8,12H2,1-2H3/i1D3,2D3,5D2,6D2,7D2,8D2,13D
InChIKeyYTQJRTCYSBINPC-NJZOIVFSSA-N
XLogP2.45
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 159016860
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
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
7-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 160669398
(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
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-isoindole
CID 157070683
[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methanol
CID 158695124
1-[6-(3,3-difluoroazetidin-1-yl)pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine
CID 147379339
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
1-[4-(6-propan-2-yloxy-3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-one
CID 160954151
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C([2H])([2H])C([2H])(Oc1cc2c(cn1)CN=C2c1ccnc(N2C([2H])([2H])C([2H])([2H])OC([2H])([2H])C2([2H])[2H])c1)C([2H])([2H])[2H].
What is the InChIKey of 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?
The InChIKey is YTQJRTCYSBINPC-NJZOIVFSSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)25-18-10-16-15(11-21-18)12-22-19(16)14-3-4-20-17(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,5-8,12H2,1-2H3/i1D3,2D3,5D2,6D2,7D2,8D2,13D.
What are the key properties of 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?
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 has a molecular weight of 353.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 149423525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).