4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine

C25H34N6O2 — CID 166865553

IUPAC4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C25H34N6O2/c1-3-26-22-17-24(29-25-20(22)6-9-27-25)28-21-5-4-19(16-23(21)32-2)30-10-7-18(8-11-30)31-12-14-33-15-13-31/h4-6,9,16-18H,3,7-8,10-15H2,1-2H3,(H3,26,27,28,29)
InChIKeyMJYDBBXQZLSWHK-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.05
Rot. Bonds7

About 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine

4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine (PubChem CID 166865553) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
PubChem CID166865553
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12
InChIInChI=1S/C25H34N6O2/c1-3-26-22-17-24(29-25-20(22)6-9-27-25)28-21-5-4-19(16-23(21)32-2)30-10-7-18(8-11-30)31-12-14-33-15-13-31/h4-6,9,16-18H,3,7-8,10-15H2,1-2H3,(H3,26,27,28,29)
InChIKeyMJYDBBXQZLSWHK-UHFFFAOYSA-N
XLogP4.05
TPSA77.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine (CID 166865553) is 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is CCNc1cc(Nc2ccc(N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]ccc12.
What is the InChIKey of 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
The InChIKey is MJYDBBXQZLSWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-3-26-22-17-24(29-25-20(22)6-9-27-25)28-21-5-4-19(16-23(21)32-2)30-10-7-18(8-11-30)31-12-14-33-15-13-31/h4-6,9,16-18H,3,7-8,10-15H2,1-2H3,(H3,26,27,28,29).
What are the key properties of 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine?
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine has a molecular weight of 450.59 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine is sourced from PubChem (CID 166865553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).