4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine

C19H20N4O — CID 157234129

IUPAC4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
SMILESc1cc(C2=NCc3cnc(C4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C19H20N4O/c1-2-13(1)17-10-16-15(11-21-17)12-22-19(16)14-3-4-20-18(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,1-2,5-8,12H2
InChIKeyQNCDCFQSTCTFLP-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.54
Rot. Bonds3

About 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine

4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine (PubChem CID 157234129) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
PubChem CID157234129
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine
SMILESc1cc(C2=NCc3cnc(C4CC4)cc32)cc(N2CCOCC2)n1
InChIInChI=1S/C19H20N4O/c1-2-13(1)17-10-16-15(11-21-17)12-22-19(16)14-3-4-20-18(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,1-2,5-8,12H2
InChIKeyQNCDCFQSTCTFLP-UHFFFAOYSA-N
XLogP2.54
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine (CID 157234129) is 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine is c1cc(C2=NCc3cnc(C4CC4)cc32)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?
The InChIKey is QNCDCFQSTCTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-13(1)17-10-16-15(11-21-17)12-22-19(16)14-3-4-20-18(9-14)23-5-7-24-8-6-23/h3-4,9-11,13H,1-2,5-8,12H2.
What are the key properties of 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine?
4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine has a molecular weight of 320.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclopropyl-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 157234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).