4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine

C21H24N4O2 — CID 158186722

IUPAC4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
SMILESc1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(N2CCCC2)n1
InChIInChI=1S/C21H24N4O2/c1-2-10-25(9-1)18-13-15(3-7-22-18)20-19-16(14-24-20)4-8-23-21(19)27-17-5-11-26-12-6-17/h3-4,7-8,13,17H,1-2,5-6,9-12,14H2
InChIKeyFZFNUBOIZMXBDB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.99
Rot. Bonds4

About 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine

4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine (PubChem CID 158186722) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
PubChem CID158186722
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine
SMILESc1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(N2CCCC2)n1
InChIInChI=1S/C21H24N4O2/c1-2-10-25(9-1)18-13-15(3-7-22-18)20-19-16(14-24-20)4-8-23-21(19)27-17-5-11-26-12-6-17/h3-4,7-8,13,17H,1-2,5-6,9-12,14H2
InChIKeyFZFNUBOIZMXBDB-UHFFFAOYSA-N
XLogP2.99
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-(4-ethoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]morpholine
CID 66826994
4-(oxan-4-yloxy)-3-[1-(oxolan-3-yl)benzimidazol-5-yl]-1H-pyrrolo[3,4-c]pyridine
CID 153021155
3-[2-(azetidin-1-yl)-4-pyridinyl]-5-cyclopropyloxy-1H-isoindole
CID 159523081
1-[(2,2-difluorocyclopropyl)methyl]-5-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzimidazole
CID 158819881
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide
CID 157369021
3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
CID 148567372
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
CID 157234129
N-methyl-N-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-isoindol-5-yl]methyl]cyclopentanamine
CID 158445506
5-cyclopropyloxy-3-[2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1H-isoindole
CID 147891410
3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
CID 159080527
morpholin-4-yl-[4-(4-propan-2-yloxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]methanone
CID 147405639

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine?
The IUPAC name of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine (CID 158186722) is 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine.
What is the SMILES notation for 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine?
The canonical SMILES for 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine is c1cc(C2=NCc3ccnc(OC4CCOCC4)c32)cc(N2CCCC2)n1.
What is the InChIKey of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine?
The InChIKey is FZFNUBOIZMXBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-10-25(9-1)18-13-15(3-7-22-18)20-19-16(14-24-20)4-8-23-21(19)27-17-5-11-26-12-6-17/h3-4,7-8,13,17H,1-2,5-6,9-12,14H2.
What are the key properties of 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine?
4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine has a molecular weight of 364.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158186722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).