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]hexanyl]morpholine

C30H36N6O — CID 123741344

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]hexanyl]morpholine
SMILESCCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C30H36N6O/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/h4-9,14,17-18,20,23-25,30H,3,10-13,15-16,19H2,1-2H3
InChIKeyQJLPJMLTUPJIKH-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.14
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]hexanyl]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]hexanyl]morpholine (PubChem CID 123741344) has the molecular formula C30H36N6O and a molecular weight of 496.66 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]hexanyl]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]hexanyl]morpholine
PubChem CID123741344
Molecular FormulaC30H36N6O
Molecular Weight496.66 g/mol
Exact Mass496.30
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]hexanyl]morpholine
SMILESCCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2CC(N3CCOCC3)CC21
InChIInChI=1S/C30H36N6O/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/h4-9,14,17-18,20,23-25,30H,3,10-13,15-16,19H2,1-2H3
InChIKeyQJLPJMLTUPJIKH-UHFFFAOYSA-N
XLogP5.14
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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]hexanyl]morpholine with MolForge

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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]hexanyl]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]hexanyl]morpholine (CID 123741344) 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]hexanyl]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]hexanyl]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]hexanyl]morpholine is CCC(C)n1nc(-c2cnc3ccn(Cc4ccccn4)c3c2)cc1C1C2CC(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]hexanyl]morpholine?
The InChIKey is QJLPJMLTUPJIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O/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/h4-9,14,17-18,20,23-25,30H,3,10-13,15-16,19H2,1-2H3.
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]hexanyl]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]hexanyl]morpholine has a molecular weight of 496.66 g/mol, XLogP of 5.14, 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]hexanyl]morpholine is sourced from PubChem (CID 123741344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).