4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine

C30H34N6O — CID 123358784

IUPAC4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine
SMILESCCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2=CC(N3CCOCC3)CC21
InChIInChI=1S/C30H34N6O/c1-3-20(2)36-29(30-24-15-23(16-25(24)30)34-10-12-37-13-11-34)17-27(33-36)21-14-28-26(32-18-21)7-9-35(28)19-22-6-4-5-8-31-22/h4-9,14-15,17-18,20,23,25,30H,3,10-13,16,19H2,1-2H3
InChIKeyLWJHOOKTDITYTR-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.06
Rot. Bonds7

About 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine

4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine (PubChem CID 123358784) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine.

Molecular Properties

Compound Name4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine
PubChem CID123358784
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine
SMILESCCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2=CC(N3CCOCC3)CC21
InChIInChI=1S/C30H34N6O/c1-3-20(2)36-29(30-24-15-23(16-25(24)30)34-10-12-37-13-11-34)17-27(33-36)21-14-28-26(32-18-21)7-9-35(28)19-22-6-4-5-8-31-22/h4-9,14-15,17-18,20,23,25,30H,3,10-13,16,19H2,1-2H3
InChIKeyLWJHOOKTDITYTR-UHFFFAOYSA-N
XLogP5.06
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137448679
CID 137448679
3-(4-Fluorophenyl)-1-morpholinoethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647185
Sdccgrch-0000111.P001
CID 11825589
US9725449, Example 29
CID 122686590
US9725449, Example 302
CID 122694924
4-[3-(3-Pyridin-4-ylpyrrolo[2,3-c]pyridin-1-yl)propyl]morpholine
CID 137655242
3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]-7-propan-2-ylpyrido[3,2-b]indole
CID 168273940
3-Methyl-8-(1-methylpyrazol-4-yl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379640
US9725449, Example 3
CID 122686457
US9725449, Example 160
CID 138403653
US11535611, Example 43
CID 151906079
US9725449, Example 6
CID 122686519

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine?
The IUPAC name of 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine (CID 123358784) is 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine.
What is the SMILES notation for 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine?
The canonical SMILES for 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine is CCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2=CC(N3CCOCC3)CC21.
What is the InChIKey of 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine?
The InChIKey is LWJHOOKTDITYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-3-20(2)36-29(30-24-15-23(16-25(24)30)34-10-12-37-13-11-34)17-27(33-36)21-14-28-26(32-18-21)7-9-35(28)19-22-6-4-5-8-31-22/h4-9,14-15,17-18,20,23,25,30H,3,10-13,16,19H2,1-2H3.
What are the key properties of 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine?
4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine has a molecular weight of 494.64 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-butan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-bicyclo[3.1.0]hex-1-enyl]morpholine is sourced from PubChem (CID 123358784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).