[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

C29H28N4O4 — CID 44524647

IUPAC[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C29H28N4O4/c34-28(32-9-13-36-14-10-32)22-5-1-20(2-6-22)24-17-25-26(19-31-27(25)30-18-24)21-3-7-23(8-4-21)29(35)33-11-15-37-16-12-33/h1-8,17-19H,9-16H2,(H,30,31)
InChIKeyYTUOSWHJSXAULA-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.84
Rot. Bonds4

About [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 44524647) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID44524647
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C29H28N4O4/c34-28(32-9-13-36-14-10-32)22-5-1-20(2-6-22)24-17-25-26(19-31-27(25)30-18-24)21-3-7-23(8-4-21)29(35)33-11-15-37-16-12-33/h1-8,17-19H,9-16H2,(H,30,31)
InChIKeyYTUOSWHJSXAULA-UHFFFAOYSA-N
XLogP3.84
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 44524647) is [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CCOCC5)cc4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is YTUOSWHJSXAULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-28(32-9-13-36-14-10-32)22-5-1-20(2-6-22)24-17-25-26(19-31-27(25)30-18-24)21-3-7-23(8-4-21)29(35)33-11-15-37-16-12-33/h1-8,17-19H,9-16H2,(H,30,31).
What are the key properties of [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 496.57 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(morpholine-4-carbonyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 44524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).