4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine

C28H34N6O — CID 135193456

IUPAC4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine
SMILESC=C(CCn1cc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)nc1C(C)C)N1CCOCC1
InChIInChI=1S/C28H34N6O/c1-20(2)28-31-26(19-33(28)11-8-21(3)32-13-15-35-16-14-32)23-17-27-25(30-18-23)9-12-34(27)22(4)24-7-5-6-10-29-24/h5-7,9-10,12,17-20,22H,3,8,11,13-16H2,1-2,4H3
InChIKeyFGOJSQKNDRROEE-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.26
Rot. Bonds8

About 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine

4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine (PubChem CID 135193456) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine
PubChem CID135193456
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine
SMILESC=C(CCn1cc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)nc1C(C)C)N1CCOCC1
InChIInChI=1S/C28H34N6O/c1-20(2)28-31-26(19-33(28)11-8-21(3)32-13-15-35-16-14-32)23-17-27-25(30-18-23)9-12-34(27)22(4)24-7-5-6-10-29-24/h5-7,9-10,12,17-20,22H,3,8,11,13-16H2,1-2,4H3
InChIKeyFGOJSQKNDRROEE-UHFFFAOYSA-N
XLogP5.26
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine?
The IUPAC name of 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine (CID 135193456) is 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine is C=C(CCn1cc(-c2cnc3ccn(C(C)c4ccccn4)c3c2)nc1C(C)C)N1CCOCC1.
What is the InChIKey of 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine?
The InChIKey is FGOJSQKNDRROEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O/c1-20(2)28-31-26(19-33(28)11-8-21(3)32-13-15-35-16-14-32)23-17-27-25(30-18-23)9-12-34(27)22(4)24-7-5-6-10-29-24/h5-7,9-10,12,17-20,22H,3,8,11,13-16H2,1-2,4H3.
What are the key properties of 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine?
4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine has a molecular weight of 470.62 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-propan-2-yl-4-[1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridin-6-yl]imidazol-1-yl]but-1-en-2-yl]morpholine is sourced from PubChem (CID 135193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).